(E)-N-(4-methylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide

Systemtic Name: (E)-N-(4-methylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-(p-tolyl)but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-methylphenyl)-4-oxo-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methylphenyl)-4-oxobut-2-enamide Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-N-(p-tolyl)but-2-enamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-17-7-9-18(10-8-17)22-20(25)11-12-21(26)23-13-15-24(16-14-23)29(27,28)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,22,25)/b12-11+