[2-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/C#N)C

InChI

InChI=1S/C26H23N3O5S/c1-17-8-9-23(14-18(17)2)29-26(31)21(16-27)15-20-6-4-5-7-25(20)34-35(32,33)24-12-10-22(11-13-24)28-19(3)30/h4-15H,1-3H3,(H,28,30)(H,29,31)/b21-15+