[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F)C

InChI

InChI=1S/C19H21FN2O5S/c1-10-7-11(2)17(12(3)8-10)22-18(23)13(4)27-19(24)15-9-14(28(21,25)26)5-6-16(15)20/h5-9,13H,1-4H3,(H,22,23)(H2,21,25,26)/t13-/m0/s1