O1-ethyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-but-2-enedioate Openeye Name: O4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(4-besylpiperazino)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O7S/c1-2-26-17(22)8-9-18(23)27-14-16(21)19-10-12-20(13-11-19)28(24,25)15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/b9-8+