[2-methoxy-4-[(E)-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(p-toluidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C24H23NO5S/c1-17-4-10-20(11-5-17)25-24(26)15-9-19-8-14-22(23(16-19)29-3)30-31(27,28)21-12-6-18(2)7-13-21/h4-16H,1-3H3,(H,25,26)/b15-9+