
 CHEMBL118196

 85 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL118196

>  <PubChem CID>
483354

>  <Formula>
C34H44N2O4S

>  <Molecular Weight>
576.796000

>  <IUPAC Name>
benzyl N-[1-[5-(benzenesulfonyl)-3-methyl-3-phenylhexyl]piperidin-4-yl]-N-ethylcarbamate

>  <XlogP>
7.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C1CCN(CC1)CCC(C)(CC(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

>  <Isomeric SMILES>
CCN(C1CCN(CC1)CCC(C)(CC(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C34H44N2O4S/c1-4-36(33(37)40-27-29-14-8-5-9-15-29)31-20-23-35(24-21-31)25-22-34(3,30-16-10-6-11-17-30)26-28(2)41(38,39)32-18-12-7-13-19-32/h5-19,28,31H,4,20-27H2,1-3H3

>  <InChI Key>
AYVFJDPITYUMTH-UHFFFAOYSA-N

