methyl (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C14H15F6NO4S2 MolecularWeight: 439.393619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H](CCSC)NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H15F6NO4S2/c1-25-12(22)11(3-4-26-2)21-27(23,24)10-6-8(13(15,16)17)5-9(7-10)14(18,19)20/h5-7,11,21H,3-4H2,1-2H3/t11-/m1/s1