tert-butyl 4-[5-[[(2-fluoranyl-6-methylsulfonyl-pyridin-3-yl)amino]methyl]pyridin-2-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[[(2-fluoranyl-6-methylsulfonyl-pyridin-3-yl)amino]methyl]pyridin-2-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[[(2-fluoro-6-methylsulfonyl-3-pyridyl)amino]methyl]-2-pyridyl]oxy]piperidine-1-carboxylate CAS Name: 4-[[5-[[(2-fluoro-6-methylsulfonyl-3-pyridinyl)amino]methyl]-2-pyridinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[[(2-fluoro-6-methylsulfonylpyridin-3-yl)amino]methyl]pyridin-2-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[[5-[[(2-fluoro-6-mesyl-3-pyridyl)amino]methyl]-2-pyridyl]oxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29FN4O5S MolecularWeight: 480.552863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=C2)CNC3=C(N=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=C2)CNC3=C(N=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H29FN4O5S/c1-22(2,3)32-21(28)27-11-9-16(10-12-27)31-18-7-5-15(14-25-18)13-24-17-6-8-19(26-20(17)23)33(4,29)30/h5-8,14,16,24H,9-13H2,1-4H3