
 SMR000026069

 50 52  0  0  0  0  0  0  0  0999 V2000
    0.9735    0.1275   -0.1947 C   0  0  0  0  0
    2.4926    0.1325   -0.1374 C   0  0  0  0  0
    3.0783    1.5396   -0.1870 C   0  0  0  0  0
    2.3473    2.5218   -0.3061 O   0  0  0  0  0
    4.4615    1.5974   -0.0975 N   0  0  0  0  0
    5.3658    0.4408    0.0287 C   0  0  0  0  0
    6.8044    0.9707    0.0282 C   0  0  0  0  0
    6.5925    2.4499    0.0357 C   0  0  0  0  0
    5.2359    2.7727   -0.0494 C   0  0  0  0  0
    4.8227    4.0961   -0.0504 C   0  0  0  0  0
    5.7909    5.1034    0.0402 C   0  0  0  0  0
    7.1555    4.7707    0.0999 C   0  0  0  0  0
    7.5681    3.4337    0.1133 C   0  0  0  0  0
    8.3729    6.0654    0.2774 S   0  0  0  0  0
    7.7208    7.1845    0.9262 O   0  0  0  0  0
    9.5461    5.4585    0.8773 O   0  0  0  0  0
    8.7614    6.4777   -1.3313 N   0  0  0  0  0
    9.5933    5.5321   -2.1082 C   0  0  0  0  0
   10.8715    6.2333   -2.5404 C   0  0  0  0  0
    7.8014    7.2693   -2.0476 C   0  0  0  0  0
    7.8612    8.6570   -1.9148 C   0  0  0  0  0
    6.9245    9.4630   -2.5598 C   0  0  0  0  0
    5.9155    8.8813   -3.3276 C   0  0  0  0  0
    5.8388    7.4894   -3.4624 C   0  0  0  0  0
    6.7855    6.6867   -2.8114 C   0  0  0  0  0
    4.7150    6.8712   -4.2405 C   0  0  0  0  0
    0.5947   -0.8983   -0.1491 H   0  0  0  0  0
    0.6129    0.5838   -1.1224 H   0  0  0  0  0
    0.5463    0.6870    0.6441 H   0  0  0  0  0
    2.8795   -0.4409   -0.9862 H   0  0  0  0  0
    2.8096   -0.3510    0.7926 H   0  0  0  0  0
    5.1387   -0.0797    0.9662 H   0  0  0  0  0
    5.1953   -0.2552   -0.7995 H   0  0  0  0  0
    7.3515    0.6330    0.9134 H   0  0  0  0  0
    7.3373    0.6594   -0.8758 H   0  0  0  0  0
    3.7735    4.3693   -0.0984 H   0  0  0  0  0
    5.4753    6.1455    0.0663 H   0  0  0  0  0
    8.6177    3.1679    0.2002 H   0  0  0  0  0
    9.0602    5.1550   -2.9870 H   0  0  0  0  0
    9.8618    4.6534   -1.5141 H   0  0  0  0  0
   10.6554    7.1042   -3.1679 H   0  0  0  0  0
   11.5061    5.5499   -3.1130 H   0  0  0  0  0
   11.4399    6.5800   -1.6706 H   0  0  0  0  0
    8.6340    9.1135   -1.3014 H   0  0  0  0  0
    6.9736   10.5434   -2.4517 H   0  0  0  0  0
    5.1806    9.5211   -3.8122 H   0  0  0  0  0
    6.7144    5.6057   -2.8930 H   0  0  0  0  0
    4.9341    5.8294   -4.4962 H   0  0  0  0  0
    4.5549    7.4124   -5.1788 H   0  0  0  0  0
    3.7939    6.8970   -3.6499 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 38  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 25 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
SMR000026069

>  <PubChem CID>
3235643

>  <Formula>
C20H24N2O3S

>  <Molecular Weight>
372.483000

>  <IUPAC Name>
N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N(CC)C3=CC=CC(=C3)C

>  <Isomeric SMILES>
CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N(CC)C3=CC=CC(=C3)C

>  <InChI Std. ID>
InChI=1S/C20H24N2O3S/c1-4-20(23)21-12-11-16-14-18(9-10-19(16)21)26(24,25)22(5-2)17-8-6-7-15(3)13-17/h6-10,13-14H,4-5,11-12H2,1-3H3

>  <InChI Key>
ACYTXPCPYQUQDF-UHFFFAOYSA-N

