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

Systemtic Name: [4-[(Z)-2-benzamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-3-anilino-2-benzamido-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-3-anilino-2-benzamido-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-3-anilino-2-benzamido-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-3-anilino-2-benzamido-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C30H26N2O6S MolecularWeight: 542.60224

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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=C3)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=C3)\NC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C30H26N2O6S/c1-21-13-16-25(17-14-21)39(35,36)38-27-18-15-22(20-28(27)37-2)19-26(30(34)31-24-11-7-4-8-12-24)32-29(33)23-9-5-3-6-10-23/h3-20H,1-2H3,(H,31,34)(H,32,33)/b26-19-