[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-keto-2-(4-p-cumenylsulfonylpiperazino)ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-5-6-7-21(25)28-16-20(24)22-12-14-23(15-13-22)29(26,27)19-10-8-18(9-11-19)17(2)3/h4-11,17H,12-16H2,1-3H3/b5-4+,7-6+