
 CHEMBL104344

 58 61  0  0  0  0  0  0  0  0999 V2000
    8.6165    7.3158    4.5653 C   0  0  0  0  0
    7.1374    7.4818    4.7577 C   0  0  0  0  0
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   10.2273   -2.4197   -0.0399 C   0  0  0  0  0
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   15.0464   -5.3986   -7.1291 Cl  0  0  0  0  0
    9.1339    8.0290    3.9350 H   0  0  0  0  0
    9.1984    6.9669    5.4121 H   0  0  0  0  0
    6.6491    8.3116    4.2608 H   0  0  0  0  0
    6.7266    7.2473    5.7343 H   0  0  0  0  0
    7.5453    6.4816    2.8346 H   0  0  0  0  0
    6.8651    4.7817    1.7128 H   0  0  0  0  0
    7.1572    2.8425    0.2392 H   0  0  0  0  0
    8.8512    0.5965    3.5026 H   0  0  0  0  0
    8.5762    2.5240    4.9763 H   0  0  0  0  0
    8.9554   -0.9521    1.9799 H   0  0  0  0  0
   10.1255    0.1155    1.1338 H   0  0  0  0  0
    9.1923   -0.7928   -1.0596 H   0  0  0  0  0
    8.1538   -1.8522   -0.1468 H   0  0  0  0  0
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   13.6730    0.1960   -2.7593 H   0  0  0  0  0
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   15.9721   -3.7363   -2.6670 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL104344

>  <PubChem CID>
44334406

>  <Formula>
C23H27ClN2O4S

>  <Molecular Weight>
462.989000

>  <IUPAC Name>
4-chloro-N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C(=O)C2=CC=C(C=C2)OCCCN3CCC(C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(C[C@H]1NS(=O)(=O)C2=CC=C(C=C2)Cl)CCCOC3=CC=C(C=C3)C(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C23H27ClN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1

>  <InChI Key>
BTCOIJOGNYPDOY-FQEVSTJZSA-N

