methyl 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(4-bromophenyl)-4-hydroxy-piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C18H24BrNO6S MolecularWeight: 462.35526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO6S/c1-25-16(21)18(8-12-26-13-9-18)27(23,24)20-10-6-17(22,7-11-20)14-2-4-15(19)5-3-14/h2-5,22H,6-13H2,1H3