[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C16H19F3N2O6S MolecularWeight: 424.39207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H19F3N2O6S/c1-26-12-5-4-11(8-13(12)28(24,25)21-6-2-3-7-21)15(23)27-9-14(22)20-10-16(17,18)19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,22)