tert-butyl 4-[5-[(2-fluoranyl-4-methylsulfonyl-phenyl)carbamoyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(2-fluoranyl-4-methylsulfonyl-phenyl)carbamoyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(2-fluoro-4-methylsulfonyl-phenyl)carbamoyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-[(2-fluoro-4-methylsulfonylanilino)-oxomethyl]-2-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(2-fluoro-4-methylsulfonylphenyl)carbamoyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-[(2-fluoro-4-mesyl-phenyl)carbamoyl]pyrimidin-2-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H27FN4O6S MolecularWeight: 494.536383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=N2)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=N2)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H27FN4O6S/c1-22(2,3)33-21(29)27-9-7-15(8-10-27)32-20-24-12-14(13-25-20)19(28)26-18-6-5-16(11-17(18)23)34(4,30)31/h5-6,11-13,15H,7-10H2,1-4H3,(H,26,28)