[2-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzenesulfonate

Systemtic Name: [2-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzenesulfonate Openeye Name: [2-[(E)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]phenyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H18N2O4S/c1-17-9-5-7-13-21(17)25-23(26)19(16-24)15-18-10-6-8-14-22(18)29-30(27,28)20-11-3-2-4-12-20/h2-15H,1H3,(H,25,26)/b19-15+