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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H18ClN3O5S/c1-22-29(26,27)17-12-14(8-9-16(17)20)19(25)28-13-18(24)23(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12,22H,5,11,13H2,1H3