[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-5-13(2)20-16(21)12-25-17(22)14-6-8-15(9-7-14)26(23,24)19-11-4-10-18/h6-9,13,19H,3-5,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1