
 CHEMBL1682673

 75 79  0  0  0  0  0  0  0  0999 V2000
    2.8246    2.6231   -1.5269 C   0  0  0  0  0
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    5.9153   -0.5824   -1.1215 H   0  0  0  0  0
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    7.6247    5.6830   -0.4554 H   0  0  0  0  0
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    7.6249   10.9321   -1.6244 H   0  0  0  0  0
    5.6979   11.1287   -0.0754 H   0  0  0  0  0
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    4.8118    6.9887   -0.5985 H   0  0  0  0  0
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    5.5520   -0.5051    2.1711 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1682673

>  <PubChem CID>
53317093

>  <Formula>
C31H35Cl2N3O3S

>  <Molecular Weight>
600.599000

>  <IUPAC Name>
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-[[4-(methanesulfonamido)-4-phenylpiperidin-1-yl]methyl]-N-methylcyclopropane-1-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)C(=O)C2(CC2CN3CCC(CC3)(C4=CC=CC=C4)NS(=O)(=O)C)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)C(=O)[C@]2(C[C@H]2CN3CCC(CC3)(C4=CC=CC=C4)NS(=O)(=O)C)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C31H35Cl2N3O3S/c1-35(21-23-9-5-3-6-10-23)29(37)31(25-13-14-27(32)28(33)19-25)20-26(31)22-36-17-15-30(16-18-36,34-40(2,38)39)24-11-7-4-8-12-24/h3-14,19,26,34H,15-18,20-22H2,1-2H3/t26-,31+/m0/s1

>  <InChI Key>
BKYRIMQMIWLUBG-SUYBVONHSA-N

