[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H17FN2O5S MolecularWeight: 380.390683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O5S/c1-20(2)16(21)15(11-6-4-3-5-7-11)25-17(22)13-10-12(26(19,23)24)8-9-14(13)18/h3-10,15H,1-2H3,(H2,19,23,24)/t15-/m0/s1