(2S)-4-methylsulfonyl-2-[3,3,3-tris(fluoranyl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[3,3,3-tris(fluoranyl)propanoylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(3,3,3-trifluoropropanoylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[(3,3,3-trifluoro-1-oxopropyl)amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(3,3,3-trifluoropropanoylamino)butanoate Traditional Name: (2S)-4-mesyl-2-(3,3,3-trifluoropropanoylamino)butyrate Formula: C8H11F3NO5S- MolecularWeight: 290.23685

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CC(F)(F)F

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CC(F)(F)F

InChI

InChI=1S/C8H12F3NO5S/c1-18(16,17)3-2-5(7(14)15)12-6(13)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13)(H,14,15)/p-1/t5-/m0/s1