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

Systemtic Name: [4-[(E)-2-acetamido-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-acetamido-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-acetamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-keto-3-(p-toluidino)prop-1-enyl]phenyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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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)C

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)C

InChI

InChI=1S/C25H24N2O5S/c1-17-4-10-21(11-5-17)27-25(29)24(26-19(3)28)16-20-8-12-22(13-9-20)32-33(30,31)23-14-6-18(2)7-15-23/h4-16H,1-3H3,(H,26,28)(H,27,29)/b24-16+