
 CHEMBL232543

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.3480    0.7602    0.0460 C   0  0  0  0  0
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    9.4370    0.7863    1.3265 C   0  0  0  0  0
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    3.6577    2.0699   -1.1167 H   0  0  0  0  0
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    3.6778   -3.3240    1.0004 H   0  0  0  0  0
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    0.4103   -1.4123   -1.1082 H   0  0  0  0  0
   -1.0350   -7.1440   -0.2239 H   0  0  0  0  0
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    9.0379    0.2899    2.2081 H   0  0  0  0  0
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   11.2522    3.5454    0.4919 H   0  0  0  0  0
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    9.7168    0.4512   -2.0518 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
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  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 43  1  0  0  0
  4  5  2  0  0  0
  4 44  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL232543

>  <PubChem CID>
44432329

>  <Formula>
C31H25ClN2O4S

>  <Molecular Weight>
557.061000

>  <IUPAC Name>
N-[4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]phenyl]sulfonylbenzamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

>  <Isomeric SMILES>
CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H25ClN2O4S/c1-22-12-18-29(28-20-25(32)13-19-30(28)38-21-23-8-4-2-5-9-23)34(22)26-14-16-27(17-15-26)39(36,37)33-31(35)24-10-6-3-7-11-24/h2-20H,21H2,1H3,(H,33,35)

>  <InChI Key>
AFNUTNZHQMPJDX-UHFFFAOYSA-N

