tert-butyl 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-bromanylpyridin-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[[4-(5-bromo-2-pyridyl)-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-bromopyridin-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(5-bromo-2-pyridyl)piperidino]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C20H29BrN2O5S MolecularWeight: 489.42366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)N2CCC(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)N2CCC(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C20H29BrN2O5S/c1-19(2,3)28-18(24)20(8-12-27-13-9-20)29(25,26)23-10-6-15(7-11-23)17-5-4-16(21)14-22-17/h4-5,14-15H,6-13H2,1-3H3