[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H16ClN3O5S/c19-15-8-7-13(11-16(15)28(21,25)26)18(24)27-12-17(23)22(10-4-9-20)14-5-2-1-3-6-14/h1-3,5-8,11H,4,10,12H2,(H2,21,25,26)