4-ethylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoic acid Openeye Name: 2-(benzylsulfonylamino)-4-ethylsulfanyl-butanoic acid CAS Name: 4-(ethylthio)-2-[(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: 2-(benzylsulfonylamino)-4-ethylsulfanylbutanoic acid Traditional Name: 2-(benzylsulfonylamino)-4-(ethylthio)butyric acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H19NO4S2/c1-2-19-9-8-12(13(15)16)14-20(17,18)10-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3,(H,15,16)