
 BDBM50159192

 49 52  0  0  0  0  0  0  0  0999 V2000
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    5.0595    0.3146   -1.6976 N   0  0  0  0  0
    5.6883    1.0558   -2.7958 C   0  0  0  0  0
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    0.8294    3.7372   -3.8329 C   0  0  0  0  0
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    2.1041    5.9111   -2.1586 I   0  0  0  0  0
    5.5606   -0.6961    0.0854 H   0  0  0  0  0
    6.6242    0.6466   -0.3241 H   0  0  0  0  0
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    6.6486    0.6140   -3.0912 H   0  0  0  0  0
    5.8532    2.1042   -2.5287 H   0  0  0  0  0
    3.8435    1.5911   -3.7922 H   0  0  0  0  0
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    3.0364   -3.6080   -2.4539 H   0  0  0  0  0
    0.9116   -4.5678   -3.3440 H   0  0  0  0  0
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    1.7582    3.7788   -4.3969 H   0  0  0  0  0
   -0.0008    2.1875   -5.0784 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
BDBM50159192

>  <PubChem CID>
44400858

>  <Formula>
C20H22IN3O2S

>  <Molecular Weight>
495.379000

>  <IUPAC Name>
4-iodo-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=C(C=C4)I

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

>  <InChI Std. ID>
InChI=1S/C20H22IN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3

>  <InChI Key>
AEMDBHPCLNORNP-UHFFFAOYSA-N

