[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl(propan-2-yl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl(propan-2-yl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-chloro-5-[isopropyl(methyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[isopropyl(methyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-11(2)20(3)26(23,24)12-5-6-14(17)13(9-12)16(22)25-10-15(21)19-8-4-7-18/h5-6,9,11H,4,8,10H2,1-3H3,(H,19,21)