tert-butyl 4-[2-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxyethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxyethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxyethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O7S MolecularWeight: 521.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H31N5O7S/c1-23(2,3)35-22(29)27-12-9-16(10-13-27)11-14-34-21-19(28(30)31)20(24-15-25-21)26-17-5-7-18(8-6-17)36(4,32)33/h5-8,15-16H,9-14H2,1-4H3,(H,24,25,26)