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

Systemtic Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate IUPAC Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyrate Formula: C12H13F3NO4S2- MolecularWeight: 356.36113

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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)/p-1