N-(4-methylphenyl)-4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-(4-phenylpiperazino)propyl]-N-(p-tolyl)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=C(C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-21-7-12-23(13-8-21)27-33(31,32)25-14-9-22(10-15-25)11-16-26(30)29-19-17-28(18-20-29)24-5-3-2-4-6-24/h2-10,12-15,27H,11,16-20H2,1H3