[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H12F3NO5S MolecularWeight: 339.28759

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C12H12F3NO5S/c1-22(19,20)9-4-2-3-8(5-9)11(18)21-6-10(17)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,17)