N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(3-chlorophenyl)-4-[4-(o-tolyl)piperazin-1-yl]butyl]-N-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-N-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(3-chlorophenyl)-4-[4-(o-tolyl)piperazino]butyl]-N-methyl-benzenesulfonamide Formula: C28H34ClN3O2S MolecularWeight: 512.10646

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Descriptors Computed from Structure

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

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