ethyl (2S)-2-acetamido-3,3,3-tris(fluoranyl)-2-(phenylsulfonylamino)propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3,3,3-tris(fluoranyl)-2-(phenylsulfonylamino)propanoate Openeye Name: ethyl (2S)-2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoro-propanoate CAS Name: (2S)-2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoropropanoate Traditional Name: (2S)-2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoro-propionic acid ethyl ester Formula: C13H15F3N2O5S MolecularWeight: 368.32881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)C)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H15F3N2O5S/c1-3-23-11(20)12(13(14,15)16,17-9(2)19)18-24(21,22)10-7-5-4-6-8-10/h4-8,18H,3H2,1-2H3,(H,17,19)/t12-/m0/s1