[2-(methylamino)-2-oxidanylidene-ethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enoate CAS Name: (E)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(4-tosylpiperazino)but-2-enoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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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)OCC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-14-3-5-15(6-4-14)28(25,26)21-11-9-20(10-12-21)17(23)7-8-18(24)27-13-16(22)19-2/h3-8H,9-13H2,1-2H3,(H,19,22)/b8-7+