N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2S/c1-22(2)17-25-13-14-27(30-34(32,33)21-24-11-7-4-8-12-24)28(19-25)31-16-15-29-26(20-31)18-23-9-5-3-6-10-23/h3-14,19,22,26,29-30H,15-18,20-21H2,1-2H3