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

Systemtic Name: tert-butyl 4-[[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O7S MolecularWeight: 507.55996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N5O7S/c1-22(2,3)34-21(28)26-11-9-15(10-12-26)13-33-20-18(27(29)30)19(23-14-24-20)25-16-5-7-17(8-6-16)35(4,31)32/h5-8,14-15H,9-13H2,1-4H3,(H,23,24,25)