3,4-dimethyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethyl-benzenesulfonamide CAS Name: 3,4-dimethyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethyl-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=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

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