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

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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