[2-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H23F3N2O6S MolecularWeight: 488.47733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23F3N2O6S/c1-14-11-18(15(2)26(14)13-21(22,23)24)19(27)12-32-20(28)16-3-5-17(6-4-16)33(29,30)25-7-9-31-10-8-25/h3-6,11H,7-10,12-13H2,1-2H3