tert-butyl 4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O7S MolecularWeight: 493.53338

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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=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O7S/c1-21(2,3)33-20(27)25-11-9-15(10-12-25)32-19-17(26(28)29)18(22-13-23-19)24-14-5-7-16(8-6-14)34(4,30)31/h5-8,13,15H,9-12H2,1-4H3,(H,22,23,24)