[3-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 3-methylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(E)-2-cyano-3-keto-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O5S/c1-16-4-2-6-18(12-16)24(29)32-21-7-3-5-17(14-21)13-19(15-25)23(28)27-20-8-10-22(11-9-20)33(26,30)31/h2-14H,1H3,(H,27,28)(H2,26,30,31)/b19-13+