
 BDBM50159180

 49 52  0  0  0  0  0  0  0  0999 V2000
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    5.4783    0.4309   -1.8979 C   0  0  0  0  0
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   -1.5082    1.7543   -4.6746 S   0  0  0  0  0
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    2.4131    2.6767   -5.2797 C   0  0  0  0  0
    1.1019    2.7173   -4.7860 C   0  0  0  0  0
    0.7348    4.0085   -3.7017 Cl  0  0  0  0  0
    6.7464   -2.4818   -0.7512 H   0  0  0  0  0
    7.5463   -0.9207   -0.8304 H   0  0  0  0  0
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    6.4895    0.7723   -2.1498 H   0  0  0  0  0
    5.0406    1.2019   -1.2532 H   0  0  0  0  0
    3.6985    0.8400   -3.0487 H   0  0  0  0  0
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    0.1528   -4.7737   -2.2385 H   0  0  0  0  0
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    3.8602    1.5953   -6.4569 H   0  0  0  0  0
    3.1171    3.4699   -5.0341 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50159180

>  <PubChem CID>
44400792

>  <Formula>
C20H22ClN3O2S

>  <Molecular Weight>
403.925000

>  <IUPAC Name>
2-chloro-N-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzenesulfonamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C20H22ClN3O2S/c1-24-10-4-5-16(24)11-14-13-22-19-9-8-15(12-17(14)19)23-27(25,26)20-7-3-2-6-18(20)21/h2-3,6-9,12-13,16,22-23H,4-5,10-11H2,1H3

>  <InChI Key>
JEYKBVBGFCMXAB-UHFFFAOYSA-N

