methyl 4-[4-(4-bromanyl-3-methyl-phenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-(4-bromanyl-3-methyl-phenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-(4-bromo-3-methyl-phenyl)-4-hydroxy-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(4-bromo-3-methylphenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromo-3-methylphenyl)-4-hydroxypiperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)-4-hydroxy-piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C19H26BrNO6S MolecularWeight: 476.38184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)O)Br

InChI

InChI=1S/C19H26BrNO6S/c1-14-13-15(3-4-16(14)20)18(23)5-9-21(10-6-18)28(24,25)19(17(22)26-2)7-11-27-12-8-19/h3-4,13,23H,5-12H2,1-2H3