methyl 2-(methylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(methylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(methanesulfonamido)propanoate CAS Name: 2-(methanesulfonamido)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(methanesulfonamido)propanoate Traditional Name: 3-(benzylthio)-2-(methanesulfonamido)propionic acid methyl ester Formula: C12H17NO4S2 MolecularWeight: 303.39768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C

InChI

InChI=1S/C12H17NO4S2/c1-17-12(14)11(13-19(2,15)16)9-18-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3