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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-(phenylsulfamoyl)benzoate CAS Name: 4-(phenylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate Traditional Name: 4-(phenylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C24H20FN3O5S MolecularWeight: 481.496103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H20FN3O5S/c25-19-9-11-21(12-10-19)28(16-4-15-26)23(29)17-33-24(30)18-7-13-22(14-8-18)34(31,32)27-20-5-2-1-3-6-20/h1-3,5-14,27H,4,16-17H2