
 GTPL10002

 69 73  0  0  0  0  0  0  0  0999 V2000
    1.9312   -0.6379    2.6716 C   0  0  0  0  0
    2.8349   -0.1872    1.6359 N   0  0  0  0  0
    3.8534    0.7056    1.8275 C   0  0  0  0  0
    4.4457    0.9701    0.6039 C   0  0  0  0  0
    3.7295    0.1949   -0.3739 C   0  0  0  0  0
    2.7658   -0.5494    0.3102 C   0  0  0  0  0
    1.9310   -1.4598   -0.3443 C   0  0  0  0  0
    2.0233   -1.5554   -1.7345 C   0  0  0  0  0
    2.9012   -0.7625   -2.4711 C   0  0  0  0  0
    3.8024    0.0697   -1.7850 C   0  0  0  0  0
    2.9016   -0.7183   -3.8912 N   0  0  0  0  0
    1.9164   -1.2520   -4.7154 C   0  0  0  0  0
    0.9590   -1.8972   -4.3150 O   0  0  0  0  0
    2.1317   -0.9333   -6.0481 N   0  0  0  0  0
    1.2640   -1.2210   -7.1307 C   0  0  0  0  0
    0.0244   -1.8562   -6.9927 C   0  0  0  0  0
   -0.7877   -2.1013   -8.1036 C   0  0  0  0  0
   -0.3734   -1.7083   -9.3707 C   0  0  0  0  0
    0.8551   -1.0711   -9.5256 C   0  0  0  0  0
    1.6697   -0.8296   -8.4126 C   0  0  0  0  0
    5.6259    1.8654    0.3682 C   0  0  0  0  0
    5.1175    3.2933    0.3098 C   0  0  0  0  0
    5.5824    4.2799    1.2023 C   0  0  0  0  0
    5.0770    5.5856    1.1333 C   0  0  0  0  0
    4.1384    5.9317    0.1527 C   0  0  0  0  0
    3.7266    4.9777   -0.7801 C   0  0  0  0  0
    4.2151    3.6750   -0.7005 C   0  0  0  0  0
    3.5745    7.3087    0.1575 C   0  0  0  0  0
    4.2422    8.2629    0.5168 O   0  0  0  0  0
    2.2492    7.3904   -0.2852 N   0  0  0  0  0
    1.3041    8.7563   -0.2585 S   0  0  0  0  0
   -0.0192    8.3038   -0.6365 O   0  0  0  0  0
    1.5153    9.4698    0.9800 O   0  0  0  0  0
    1.9258    9.7129   -1.6138 C   0  0  0  0  0
    1.7157    9.2591   -2.9212 C   0  0  0  0  0
    2.1463   10.0363   -3.9963 C   0  0  0  0  0
    2.7692   11.2637   -3.7637 C   0  0  0  0  0
    2.9671   11.7163   -2.4575 C   0  0  0  0  0
    2.5465   10.9411   -1.3762 C   0  0  0  0  0
    6.5046    3.8835    2.1367 O   0  0  0  0  0
    7.4094    4.8887    2.5865 C   0  0  0  0  0
    1.6627   -1.6821    2.4948 H   0  0  0  0  0
    1.0401   -0.0048    2.6392 H   0  0  0  0  0
    2.4222   -0.5516    3.6437 H   0  0  0  0  0
    4.0773    1.0947    2.8130 H   0  0  0  0  0
    1.2090   -2.0677    0.1910 H   0  0  0  0  0
    1.3613   -2.2705   -2.2126 H   0  0  0  0  0
    4.5265    0.6678   -2.3276 H   0  0  0  0  0
    3.5666   -0.0914   -4.3153 H   0  0  0  0  0
    3.0045   -0.4879   -6.2820 H   0  0  0  0  0
   -0.3540   -2.1802   -6.0291 H   0  0  0  0  0
   -1.7445   -2.5997   -7.9679 H   0  0  0  0  0
   -1.0082   -1.8985  -10.2319 H   0  0  0  0  0
    1.1791   -0.7608  -10.5154 H   0  0  0  0  0
    2.6208   -0.3286   -8.5681 H   0  0  0  0  0
    6.1365    1.6186   -0.5691 H   0  0  0  0  0
    6.3543    1.7128    1.1721 H   0  0  0  0  0
    5.3802    6.3410    1.8538 H   0  0  0  0  0
    3.0411    5.2257   -1.5853 H   0  0  0  0  0
    3.8744    2.9484   -1.4335 H   0  0  0  0  0
    1.6925    6.5586   -0.4489 H   0  0  0  0  0
    1.2055    8.3174   -3.1071 H   0  0  0  0  0
    1.9848    9.6948   -5.0159 H   0  0  0  0  0
    3.0936   11.8747   -4.6029 H   0  0  0  0  0
    3.4424   12.6786   -2.2822 H   0  0  0  0  0
    2.6952   11.3031   -0.3610 H   0  0  0  0  0
    8.2563    4.3856    3.0634 H   0  0  0  0  0
    6.9344    5.5284    3.3365 H   0  0  0  0  0
    7.8032    5.4829    1.7543 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 45  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 47  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 48  1  0  0  0
 11 12  1  0  0  0
 11 49  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 50  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 17 18  2  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 19 20  2  0  0  0
 19 54  1  0  0  0
 20 55  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 21 57  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 59  1  0  0  0
 27 60  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 31 34  1  0  0  0
 31 33  2  0  0  0
 31 32  2  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 62  1  0  0  0
 36 37  2  0  0  0
 36 63  1  0  0  0
 37 38  1  0  0  0
 37 64  1  0  0  0
 38 39  2  0  0  0
 38 65  1  0  0  0
 39 66  1  0  0  0
 40 41  1  0  0  0
 41 67  1  0  0  0
 41 68  1  0  0  0
 41 69  1  0  0  0
M  END

>  <Chemical Name>
GTPL10002

>  <PubChem CID>
134611898

>  <Formula>
C31H28N4O5S

>  <Molecular Weight>
568.648000

>  <IUPAC Name>
N-(benzenesulfonyl)-3-methoxy-4-[[1-methyl-5-(phenylcarbamoylamino)indol-3-yl]methyl]benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)OC

>  <Isomeric SMILES>
CN1C=C(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C31H28N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h3-16,18-20H,17H2,1-2H3,(H,34,36)(H2,32,33,37)

>  <InChI Key>
CJILPLPDEJBFHA-UHFFFAOYSA-N

