[2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-benzoylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-benzoyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-benzoylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-benzoylpiperazino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H28N2O6S/c1-21-8-12-24(13-9-21)37(33,34)36-25-14-10-22(20-26(25)35-2)11-15-27(31)29-16-18-30(19-17-29)28(32)23-6-4-3-5-7-23/h3-15,20H,16-19H2,1-2H3/b15-11+