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

Systemtic Name: N-butyl-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-N-phenyl-benzenesulfonamide Openeye Name: N-butyl-3-[(3S)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-N-phenyl-benzenesulfonamide CAS Name: N-butyl-3-[[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-butyl-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide Traditional Name: N-butyl-3-[(3S)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-N-phenyl-benzenesulfonamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN([C@H](C3)C)C4=CC=CC(=C4)C

InChI

InChI=1S/C29H35N3O3S/c1-4-5-17-32(26-13-7-6-8-14-26)36(34,35)28-16-10-12-25(21-28)29(33)30-18-19-31(24(3)22-30)27-15-9-11-23(2)20-27/h6-16,20-21,24H,4-5,17-19,22H2,1-3H3/t24-/m0/s1