tert-butyl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-(2-fluoro-4-methylsulfonyl-anilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(2-fluoro-4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(2-fluoro-4-mesyl-anilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H26FN5O7S MolecularWeight: 511.523843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H26FN5O7S/c1-21(2,3)34-20(28)26-9-7-13(8-10-26)33-19-17(27(29)30)18(23-12-24-19)25-16-6-5-14(11-15(16)22)35(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,23,24,25)