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

Systemtic Name: [4-[(E)-2-acetamido-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-keto-3-(p-anisidino)prop-1-enyl]phenyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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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)C

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)C

InChI

InChI=1S/C25H24N2O6S/c1-17-4-14-23(15-5-17)34(30,31)33-22-10-6-19(7-11-22)16-24(26-18(2)28)25(29)27-20-8-12-21(32-3)13-9-20/h4-16H,1-3H3,(H,26,28)(H,27,29)/b24-16+