4-methyl-N-(2-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-4-methyl-N-(o-tolyl)benzenesulfonamide CAS Name: 4-methyl-N-(2-methylphenyl)-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-4-methyl-N-(o-tolyl)benzenesulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-20-12-13-23(33(31,32)27-25-11-7-6-8-21(25)2)18-24(20)26(30)29-16-14-28(15-17-29)19-22-9-4-3-5-10-22/h3-13,18,27H,14-17,19H2,1-2H3