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

Systemtic Name: methyl 4-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C19H26BrNO5S MolecularWeight: 460.38244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)Br

InChI

InChI=1S/C19H26BrNO5S/c1-14-13-16(3-4-17(14)20)15-5-9-21(10-6-15)27(23,24)19(18(22)25-2)7-11-26-12-8-19/h3-4,13,15H,5-12H2,1-2H3