
 CHEMBL1554375

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.7089   -1.5781   -0.9913 C   0  0  0  0  0
    2.8259   -0.3596   -1.1172 C   0  0  0  0  0
    1.6532   -0.4968   -1.4644 O   0  0  0  0  0
    3.4429    0.8493   -0.8499 N   0  0  0  0  0
    4.8404    1.0357   -0.4244 C   0  0  0  0  0
    5.1316    2.5422   -0.4549 C   0  0  0  0  0
    3.7646    3.1183   -0.6469 C   0  0  0  0  0
    2.8263    2.1139   -0.8887 C   0  0  0  0  0
    1.5035    2.4306   -1.1300 C   0  0  0  0  0
    1.1275    3.7778   -1.1222 C   0  0  0  0  0
    2.0648    4.8068   -0.8783 C   0  0  0  0  0
    3.4082    4.4628   -0.6579 C   0  0  0  0  0
    1.5827    6.2423   -0.9329 C   0  0  0  0  0
    2.4105    7.1746   -0.1708 N   0  0  0  0  0
    1.9394    8.7814   -0.1231 S   0  0  0  0  0
    0.4943    8.8111   -0.1620 O   0  0  0  0  0
    2.6733    9.4347    0.9361 O   0  0  0  0  0
    2.5645    9.4265   -1.6586 C   0  0  0  0  0
    1.6156    9.9250   -2.5710 C   0  0  0  0  0
    2.0218   10.5005   -3.7729 C   0  0  0  0  0
    3.3748   10.5887   -4.0711 C   0  0  0  0  0
    4.3191   10.0938   -3.1697 C   0  0  0  0  0
    3.9384    9.4959   -1.9459 C   0  0  0  0  0
    5.0620    9.0129   -1.0567 C   0  0  0  0  0
    5.9515    8.2533   -1.7678 F   0  0  0  0  0
    5.7976   10.0471   -0.5603 F   0  0  0  0  0
    4.7366    8.2397    0.0062 F   0  0  0  0  0
    4.4537   -1.5809   -1.7916 H   0  0  0  0  0
    3.0961   -2.4803   -1.0849 H   0  0  0  0  0
    4.1975   -1.6045   -0.0144 H   0  0  0  0  0
    4.9361    0.6381    0.5935 H   0  0  0  0  0
    5.5192    0.4754   -1.0750 H   0  0  0  0  0
    5.5993    2.8777    0.4752 H   0  0  0  0  0
    5.7736    2.7959   -1.3047 H   0  0  0  0  0
    0.7561    1.6679   -1.3196 H   0  0  0  0  0
    0.0837    4.0237   -1.3132 H   0  0  0  0  0
    4.1668    5.2256   -0.5050 H   0  0  0  0  0
    0.5659    6.2679   -0.5249 H   0  0  0  0  0
    1.5529    6.5511   -1.9835 H   0  0  0  0  0
    2.7757    6.8596    0.7282 H   0  0  0  0  0
    0.5502    9.8852   -2.3475 H   0  0  0  0  0
    1.2817   10.8905   -4.4682 H   0  0  0  0  0
    3.6982   11.0483   -5.0024 H   0  0  0  0  0
    5.3767   10.1816   -3.4234 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1554375

>  <PubChem CID>
16030862

>  <Formula>
C18H17F3N2O3S

>  <Molecular Weight>
398.400000

>  <IUPAC Name>
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)N1CCC2=C1C=CC(=C2)CNS(=O)(=O)C3=CC=CC=C3C(F)(F)F

>  <Isomeric SMILES>
CC(=O)N1CCC2=C1C=CC(=C2)CNS(=O)(=O)C3=CC=CC=C3C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H17F3N2O3S/c1-12(24)23-9-8-14-10-13(6-7-16(14)23)11-22-27(25,26)17-5-3-2-4-15(17)18(19,20)21/h2-7,10,22H,8-9,11H2,1H3

>  <InChI Key>
ADLLCWJBAJRVAT-UHFFFAOYSA-N

