tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxy-pyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

Systemtic Name: tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxy-pyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate Openeye Name: tert-butyl 7-[5-methyl-6-[(1-methylsulfonyl-4-piperidyl)oxy]pyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate CAS Name: 7-[[5-methyl-6-[(1-methylsulfonyl-4-piperidinyl)oxy]-4-pyrimidinyl]oxy]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate Traditional Name: 7-[6-[(1-mesyl-4-piperidyl)oxy]-5-methyl-pyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester Formula: C23H36N4O7S MolecularWeight: 512.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1OC2CC3COCC(C2)N3C(=O)OC(C)(C)C)OC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=CN=C1OC2CC3COCC(C2)N3C(=O)OC(C)(C)C)OC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H36N4O7S/c1-15-20(32-18-6-8-26(9-7-18)35(5,29)30)24-14-25-21(15)33-19-10-16-12-31-13-17(11-19)27(16)22(28)34-23(2,3)4/h14,16-19H,6-13H2,1-5H3