[4-[(E)-3-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-benzamido-2,5-dimethoxy-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-benzamido-2,5-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-benzamido-2,5-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-benzamido-2,5-dimethoxy-anilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C32H30N2O8S MolecularWeight: 602.6542

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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)NC3=C(C=C(C(=C3)OC)NC(=O)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=C(C=C(C(=C3)OC)NC(=O)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C32H30N2O8S/c1-21-10-14-24(15-11-21)43(37,38)42-27-16-12-22(18-30(27)41-4)13-17-31(35)33-25-19-29(40-3)26(20-28(25)39-2)34-32(36)23-8-6-5-7-9-23/h5-20H,1-4H3,(H,33,35)(H,34,36)/b17-13+