(2-azanyl-2-oxidanylidene-ethyl) 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (2-amino-2-keto-ethyl) ester Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2O5S/c1-9(2)12(13(17)20-8-11(14)16)15-21(18,19)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,16)