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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H17FN2O5S MolecularWeight: 380.390683

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O5S/c1-10-3-5-12(6-4-10)20-16(21)11(2)25-17(22)14-9-13(26(19,23)24)7-8-15(14)18/h3-9,11H,1-2H3,(H,20,21)(H2,19,23,24)/t11-/m0/s1