(E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-phenyl-but-2-enamide

Systemtic Name: (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-phenyl-but-2-enamide Openeye Name: (E)-4-oxo-N-phenyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enamide CAS Name: (E)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-N-phenyl-2-butenamide IUPAC Name: (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-phenylbut-2-enamide Traditional Name: (E)-4-keto-N-phenyl-4-(4-tosylpiperazino)but-2-enamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C(=O)NC3=CC=CC=C3

InChI

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