
 CHEMBL79369

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL79369

>  <PubChem CID>
5482456

>  <Formula>
C28H34ClN3O2S

>  <Molecular Weight>
512.109000

>  <IUPAC Name>
N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methylbenzenesulfonamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)CCC(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)CC[C@H](CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C28H34ClN3O2S/c1-23-9-6-7-14-28(23)32-19-17-31(18-20-32)16-15-25(24-10-8-11-26(29)21-24)22-30(2)35(33,34)27-12-4-3-5-13-27/h3-14,21,25H,15-20,22H2,1-2H3/t25-/m1/s1

>  <InChI Key>
ASNNTFFABYDNRF-RUZDIDTESA-N

