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

Systemtic Name: [4-[(Z)-2-benzamido-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-benzamido-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-benzamido-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-keto-3-(o-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)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C(=O)NC3=CC=CC=C3C)NC(=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)NC3=CC=CC=C3C)\NC(=O)C4=CC=CC=C4)OC

InChI

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