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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-22(18-8-4-2-5-9-18)20(25)12-13-21(26)23-14-16-24(17-15-23)29(27,28)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3/b13-12+