[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C16H20ClN3O5S/c1-3-20(4-2)26(23,24)14-10-12(6-7-13(14)17)16(22)25-11-15(21)19-9-5-8-18/h6-7,10H,3-5,9,11H2,1-2H3,(H,19,21)