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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F

InChI

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