propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[[1-(2-fluoro-4-methylsulfonyl-phenyl)-2-oxo-4-pyridyl]oxy]piperidine-1-carboxylate CAS Name: 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[[1-(2-fluoro-4-mesyl-phenyl)-2-keto-4-pyridyl]oxy]piperidine-1-carboxylic acid isopropyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H25FN2O6S/c1-14(2)29-21(26)23-9-6-15(7-10-23)30-16-8-11-24(20(25)12-16)19-5-4-17(13-18(19)22)31(3,27)28/h4-5,8,11-15H,6-7,9-10H2,1-3H3