
 BDBM86527

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.9360    1.1305   -1.5841 C   0  0  0  0  0
    2.3998    1.1504   -1.5939 N   0  0  0  0  0
    2.8729    1.5552   -0.2466 C   0  0  0  0  0
    4.3782    1.3126   -0.0478 C   0  0  0  0  0
    4.6759   -0.1989   -0.1430 C   0  0  0  0  0
    3.5854   -1.0008   -0.9038 C   0  0  0  0  0
    3.0332   -0.1090   -2.0916 C   0  0  0  0  0
    2.2224   -0.8772   -3.1980 C   0  0  0  0  0
    2.9136   -2.1392   -3.5820 C   0  0  0  0  0
    2.9003   -2.9154   -4.7172 C   0  0  0  0  0
    3.6750   -4.0295   -4.4670 N   0  0  0  0  0
    4.1725   -3.9910   -3.1798 C   0  0  0  0  0
    4.9417   -4.8775   -2.4192 C   0  0  0  0  0
    5.2493   -4.4881   -1.1056 C   0  0  0  0  0
    4.8377   -3.2534   -0.5842 C   0  0  0  0  0
    4.0938   -2.3561   -1.3623 C   0  0  0  0  0
    3.7461   -2.7863   -2.6486 C   0  0  0  0  0
    3.9067   -5.0944   -5.4159 C   0  0  0  0  0
    5.1620    2.0401   -1.0989 N   0  0  0  0  0
    5.3961    3.6837   -0.8359 S   0  0  0  0  0
    4.1617    4.3508   -1.1586 O   0  0  0  0  0
    6.0621    3.8706    0.4279 O   0  0  0  0  0
    6.5000    3.9685   -2.0824 N   0  0  0  0  0
    6.5899    5.3854   -2.4919 C   0  0  0  0  0
    7.8371    3.3716   -1.8820 C   0  0  0  0  0
    0.5433    0.3027   -0.9824 H   0  0  0  0  0
    0.5330    1.0584   -2.5988 H   0  0  0  0  0
    0.5378    2.0654   -1.1725 H   0  0  0  0  0
    2.3298    1.0082    0.5366 H   0  0  0  0  0
    2.6407    2.6147   -0.0951 H   0  0  0  0  0
    4.7019    1.6589    0.9405 H   0  0  0  0  0
    4.7401   -0.6044    0.8760 H   0  0  0  0  0
    5.6644   -0.3583   -0.5942 H   0  0  0  0  0
    2.7496   -1.2081   -0.2202 H   0  0  0  0  0
    3.9300    0.2157   -2.6403 H   0  0  0  0  0
    2.0977   -0.2339   -4.0773 H   0  0  0  0  0
    1.2266   -1.1487   -2.8296 H   0  0  0  0  0
    2.3974   -2.7835   -5.6664 H   0  0  0  0  0
    5.2712   -5.8335   -2.8101 H   0  0  0  0  0
    5.8236   -5.1645   -0.4756 H   0  0  0  0  0
    5.1007   -3.0030    0.4405 H   0  0  0  0  0
    3.6556   -4.7458   -6.4211 H   0  0  0  0  0
    3.2722   -5.9401   -5.1402 H   0  0  0  0  0
    4.9624   -5.3755   -5.3832 H   0  0  0  0  0
    4.6648    1.9807   -1.9922 H   0  0  0  0  0
    5.6096    5.7648   -2.7948 H   0  0  0  0  0
    7.2491    5.4790   -3.3614 H   0  0  0  0  0
    6.9893    6.0046   -1.6830 H   0  0  0  0  0
    7.7715    2.3558   -1.4831 H   0  0  0  0  0
    8.4433    3.9830   -1.2062 H   0  0  0  0  0
    8.3489    3.3039   -2.8475 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 23  1  0  0  0
 20 22  2  0  0  0
 20 21  2  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
BDBM86527

>  <PubChem CID>
5251926

>  <Formula>
C18H26N4O2S

>  <Molecular Weight>
362.492000

>  <IUPAC Name>
9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C

>  <Isomeric SMILES>
CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3

>  <InChI Key>
JLVHTNZNKOSCNB-UHFFFAOYSA-N

