[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H13F3N2O5S MolecularWeight: 354.30223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C12H13F3N2O5S/c1-7-2-3-8(4-9(7)23(16,20)21)11(19)22-5-10(18)17-6-12(13,14)15/h2-4H,5-6H2,1H3,(H,17,18)(H2,16,20,21)