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

Systemtic Name: [4-[(Z)-2-benzamido-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-benzamido-3-(4-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-keto-3-(p-toluidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C31H28N2O6S MolecularWeight: 556.62882

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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)NC(=O)C4=CC=CC=C4

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)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H28N2O6S/c1-21-9-14-25(15-10-21)32-31(35)27(33-30(34)24-7-5-4-6-8-24)19-23-13-18-28(29(20-23)38-3)39-40(36,37)26-16-11-22(2)12-17-26/h4-20H,1-3H3,(H,32,35)(H,33,34)/b27-19-