
 BDBM50159207

 49 52  0  0  0  0  0  0  0  0999 V2000
    3.4527    0.8030    0.9423 C   0  0  0  0  0
    3.7623   -0.6223    0.9462 N   0  0  0  0  0
    3.8840   -1.1371    2.3115 C   0  0  0  0  0
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    1.8582   -2.2942   -1.9554 C   0  0  0  0  0
    1.9158   -3.6374   -2.2792 C   0  0  0  0  0
    0.7686   -3.9743   -2.9416 N   0  0  0  0  0
   -0.0378   -2.8709   -3.0878 C   0  0  0  0  0
    0.6164   -1.8027   -2.4719 C   0  0  0  0  0
   -0.0043   -0.5380   -2.4931 C   0  0  0  0  0
   -1.2347   -0.3863   -3.1430 C   0  0  0  0  0
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   -1.2769   -2.7393   -3.7261 C   0  0  0  0  0
   -1.7857    0.9256   -3.2520 N   0  0  0  0  0
   -1.4586    1.7756   -4.6872 S   0  0  0  0  0
   -1.7714    0.9241   -5.8152 O   0  0  0  0  0
   -2.0952    3.0689   -4.5445 O   0  0  0  0  0
    0.2978    2.0202   -4.6200 C   0  0  0  0  0
    1.1422    1.1362   -5.3010 C   0  0  0  0  0
    2.5231    1.3020   -5.2125 C   0  0  0  0  0
    3.0525    2.3548   -4.4642 C   0  0  0  0  0
    2.2048    3.2498   -3.8088 C   0  0  0  0  0
    0.8210    3.0878   -3.8866 C   0  0  0  0  0
    3.3929    1.1883   -0.0805 H   0  0  0  0  0
    4.2497    1.3643    1.4430 H   0  0  0  0  0
    2.5082    1.0258    1.4502 H   0  0  0  0  0
    3.0362   -0.8375    2.9407 H   0  0  0  0  0
    4.8136   -0.8148    2.7918 H   0  0  0  0  0
    4.8534   -2.9825    1.7638 H   0  0  0  0  0
    3.5887   -3.1902    2.9882 H   0  0  0  0  0
    3.2070   -3.6139    0.2911 H   0  0  0  0  0
    1.8915   -3.1304    1.3727 H   0  0  0  0  0
    1.7218   -1.0535    0.5167 H   0  0  0  0  0
    3.9042   -1.9366   -1.4723 H   0  0  0  0  0
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    2.6815   -4.3788   -2.0930 H   0  0  0  0  0
    0.5502   -4.8960   -3.2964 H   0  0  0  0  0
    0.4847    0.3154   -2.0332 H   0  0  0  0  0
   -2.8035   -1.3350   -4.2806 H   0  0  0  0  0
   -1.7581   -3.5821   -4.2122 H   0  0  0  0  0
   -2.7796    1.0064   -3.0380 H   0  0  0  0  0
    0.7346    0.3071   -5.8755 H   0  0  0  0  0
    3.1872    0.6065   -5.7207 H   0  0  0  0  0
    4.1310    2.4792   -4.3946 H   0  0  0  0  0
    2.6240    4.0723   -3.2342 H   0  0  0  0  0
    0.1627    3.7826   -3.3705 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
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  2  6  1  0  0  0
  2  3  1  0  0  0
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  3 31  1  0  0  0
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  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
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 26 49  1  0  0  0
M  END

>  <Chemical Name>
BDBM50159207

>  <PubChem CID>
44400876

>  <Formula>
C20H23N3O2S

>  <Molecular Weight>
369.483000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H23N3O2S/c1-23-11-5-6-17(23)12-15-14-21-20-10-9-16(13-19(15)20)22-26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17,21-22H,5-6,11-12H2,1H3

>  <InChI Key>
AEPVZNANVLFOQO-UHFFFAOYSA-N

