
 SCHEMBL6530503

 42 45  0  0  0  0  0  0  0  0999 V2000
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    1.3701   -1.8989    1.2077 N   0  0  0  0  0
    1.9255   -2.8688    0.2236 C   0  0  0  0  0
    2.4802   -2.0634   -0.9144 C   0  0  0  0  0
    2.5015   -0.7776   -0.5529 C   0  0  0  0  0
    1.9592   -0.5901    0.8230 C   0  0  0  0  0
    3.0666    0.5703   -1.4224 Cl  0  0  0  0  0
    2.8565   -2.7085   -2.1296 C   0  0  0  0  0
    2.7213   -2.1330   -3.3768 C   0  0  0  0  0
    3.2247   -3.0076   -4.3009 N   0  0  0  0  0
    3.6211   -4.1882   -3.7122 C   0  0  0  0  0
    4.1577   -5.3744   -4.2472 C   0  0  0  0  0
    4.4826   -6.4131   -3.3737 C   0  0  0  0  0
    4.2943   -6.2748   -2.0063 C   0  0  0  0  0
    3.7694   -5.0909   -1.4780 C   0  0  0  0  0
    3.4082   -4.0227   -2.3320 C   0  0  0  0  0
    3.2708   -2.6823   -5.9714 S   0  0  0  0  0
    2.7780   -1.3295   -6.1444 O   0  0  0  0  0
    4.5941   -3.0845   -6.4092 O   0  0  0  0  0
    2.0729   -3.7781   -6.6857 C   0  0  0  0  0
    0.7289   -3.6755   -6.3074 C   0  0  0  0  0
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    1.2287    0.2260    0.8698 H   0  0  0  0  0
    2.3402   -1.1656   -3.6801 H   0  0  0  0  0
    4.3434   -5.4947   -5.3106 H   0  0  0  0  0
    4.9027   -7.3354   -3.7694 H   0  0  0  0  0
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    0.4037   -2.9375   -5.5776 H   0  0  0  0  0
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    1.8162   -6.2630   -9.0018 H   0  0  0  0  0
    3.5159   -4.7674   -7.9739 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6530503

>  <PubChem CID>
11372738

>  <Formula>
C19H16ClFN2O2S

>  <Molecular Weight>
390.857000

>  <IUPAC Name>
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CC(=C(C1)Cl)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CC(=C(C1)Cl)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H16ClFN2O2S/c1-22-10-17(18(20)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(21)7-9-14/h2-9,11H,10,12H2,1H3

>  <InChI Key>
BSUNLXLBVQPAFJ-UHFFFAOYSA-N

