
 CHEMBL1083316

 57 60  0  0  0  0  0  0  0  0999 V2000
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   10.1184    1.4411   -1.3061 C   0  0  0  0  0
    9.6418    0.1441   -1.5077 C   0  0  0  0  0
    8.4846   -0.2867   -0.8499 C   0  0  0  0  0
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    4.0366    1.2944   -0.1037 H   0  0  0  0  0
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  1  6  1  0  0  0
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  4  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1083316

>  <PubChem CID>
46891078

>  <Formula>
C26H23ClN2O3S2

>  <Molecular Weight>
511.051000

>  <IUPAC Name>
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30)

>  <InChI Key>
AXOKQRAETZYQKZ-UHFFFAOYSA-N

