4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid Formula: C12H14F3NO4S2 MolecularWeight: 357.36907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3NO4S2/c1-21-6-5-10(11(17)18)16-22(19,20)9-4-2-3-8(7-9)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18)