[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-2-3-5-10-18(22)25-15-17(21)19-11-13-20(14-12-19)26(23,24)16-8-6-4-7-9-16/h2-10H,11-15H2,1H3/b3-2+,10-5+