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

Systemtic Name: [4-[(E)-2-benzamido-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-keto-3-(p-anisidino)prop-1-enyl]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=CC=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O6S/c1-21-8-18-27(19-9-21)39(35,36)38-26-14-10-22(11-15-26)20-28(32-29(33)23-6-4-3-5-7-23)30(34)31-24-12-16-25(37-2)17-13-24/h3-20H,1-2H3,(H,31,34)(H,32,33)/b28-20+