[(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O5S/c1-10-5-4-6-11(2)16(10)21-17(22)12(3)26-18(23)14-9-13(27(20,24)25)7-8-15(14)19/h4-9,12H,1-3H3,(H,21,22)(H2,20,24,25)/t12-/m1/s1