[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)OC

Isomeric SMILES

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)OC

InChI

InChI=1S/C22H24FN3O7S/c1-31-13-11-25-34(29,30)20-14-16(8-9-19(20)32-2)22(28)33-15-21(27)26(12-5-10-24)18-7-4-3-6-17(18)23/h3-4,6-9,14,25H,5,11-13,15H2,1-2H3