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

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F)C)C

InChI

InChI=1S/C19H20FNO5S/c1-10-7-12(3)15(8-11(10)2)18(22)13(4)26-19(23)16-9-14(27(21,24)25)5-6-17(16)20/h5-9,13H,1-4H3,(H2,21,24,25)/t13-/m0/s1