(2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyrate Formula: C12H13F3NO4S- MolecularWeight: 324.29613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3NO4S/c1-7(2)10(11(17)18)16-21(19,20)9-5-3-4-8(6-9)12(13,14)15/h3-7,10,16H,1-2H3,(H,17,18)/p-1/t10-/m0/s1