[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[isopropyl(methyl)sulfamoyl]benzoate CAS Name: 3-[methyl(propan-2-yl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate Traditional Name: 3-[isopropyl(methyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-12(2)19(3)25(22,23)14-7-4-6-13(10-14)16(21)24-11-15(20)18-9-5-8-17/h4,6-7,10,12H,5,9,11H2,1-3H3,(H,18,20)