[1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid [1-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C20H26F3N3O6S MolecularWeight: 493.49715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3CCCN3S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3CCCN3S(=O)(=O)C

InChI

InChI=1S/C20H26F3N3O6S/c1-13(32-19(28)17-4-3-7-26(17)33(2,29)30)18(27)24-15-12-14(20(21,22)23)5-6-16(15)25-8-10-31-11-9-25/h5-6,12-13,17H,3-4,7-11H2,1-2H3,(H,24,27)