[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C18H16FN3O5S MolecularWeight: 405.400143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O5S/c19-15-4-1-2-5-16(15)22-17(23)12-27-18(24)13-6-8-14(9-7-13)28(25,26)21-11-3-10-20/h1-2,4-9,21H,3,11-12H2,(H,22,23)