N-(2,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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