[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC#C)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC#C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H20N2O5S/c1-4-10-17-14(19)11-23-16(20)15(12(2)3)18-24(21,22)13-8-6-5-7-9-13/h1,5-9,12,15,18H,10-11H2,2-3H3,(H,17,19)/t15-/m0/s1