(E)-N-(3-methylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide

Systemtic Name: (E)-N-(3-methylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(m-tolyl)-4-oxo-but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3-methylphenyl)-4-oxo-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methylphenyl)-4-oxobut-2-enamide Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-N-(m-tolyl)but-2-enamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-17-6-5-7-18(16-17)22-20(25)10-11-21(26)23-12-14-24(15-13-23)29(27,28)19-8-3-2-4-9-19/h2-11,16H,12-15H2,1H3,(H,22,25)/b11-10+