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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C=CC=CC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C=C/C

InChI

InChI=1S/C21H28N2O5S/c1-3-5-6-8-21(25)28-17-20(24)22-13-15-23(16-14-22)29(26,27)19-11-9-18(7-4-2)10-12-19/h3,5-6,8-12H,4,7,13-17H2,1-2H3/b5-3+,8-6+