[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H16FN3O5S MolecularWeight: 453.442943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H16FN3O5S/c23-17-8-10-18(11-9-17)26-32(29,30)19-6-3-5-15(12-19)22(28)31-14-21(27)25-20-7-2-1-4-16(20)13-24/h1-12,26H,14H2,(H,25,27)