[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H21N3O5S/c1-11(2)19-15(20)12(3)24-16(21)13-5-7-14(8-6-13)25(22,23)18-10-4-9-17/h5-8,11-12,18H,4,10H2,1-3H3,(H,19,20)/t12-/m0/s1