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

Systemtic Name: [4-[(E)-2-acetamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-acetamido-3-anilino-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-anilino-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-acetamido-3-anilino-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-anilino-3-keto-prop-1-enyl]phenyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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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=CC=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c1-17-8-14-22(15-9-17)32(29,30)31-21-12-10-19(11-13-21)16-23(25-18(2)27)24(28)26-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,27)(H,26,28)/b23-16+