3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(4-phenylbutan-2-yl)benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-23-11-15-28(16-12-23)36(34,35)32-19-17-31(18-20-32)22-26-9-6-10-27(21-26)29(33)30-24(2)13-14-25-7-4-3-5-8-25/h3-12,15-16,21,24H,13-14,17-20,22H2,1-2H3,(H,30,33)