ethyl (2R)-2-acetamido-3,3,3-tris(fluoranyl)-2-[(4-sulfamoylphenyl)amino]propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3,3,3-tris(fluoranyl)-2-[(4-sulfamoylphenyl)amino]propanoate Openeye Name: ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate CAS Name: (2R)-2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate Traditional Name: (2R)-2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propionic acid ethyl ester Formula: C13H16F3N3O5S MolecularWeight: 383.34345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@](C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C

InChI

InChI=1S/C13H16F3N3O5S/c1-3-24-11(21)12(13(14,15)16,18-8(2)20)19-9-4-6-10(7-5-9)25(17,22)23/h4-7,19H,3H2,1-2H3,(H,18,20)(H2,17,22,23)/t12-/m0/s1