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

Systemtic Name: [4-[(E)-2-benzamido-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-keto-3-(p-toluidino)prop-1-enyl]phenyl] ester Formula: C30H26N2O5S MolecularWeight: 526.60284

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

InChI

InChI=1S/C30H26N2O5S/c1-21-8-14-25(15-9-21)31-30(34)28(32-29(33)24-6-4-3-5-7-24)20-23-12-16-26(17-13-23)37-38(35,36)27-18-10-22(2)11-19-27/h3-20H,1-2H3,(H,31,34)(H,32,33)/b28-20+