[2-(methylamino)-2-oxidanylidene-ethyl] (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-2-butenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-but-2-enoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)COC(=O)/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O6S/c1-18-15(21)13-26-17(23)8-7-16(22)19-9-11-20(12-10-19)27(24,25)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,18,21)/b8-7+