methyl 1-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-3,4-bis(oxidanyl)cyclopentane-1-carboxylate

Systemtic Name: methyl 1-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-3,4-bis(oxidanyl)cyclopentane-1-carboxylate Openeye Name: methyl 1-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]-3,4-dihydroxy-cyclopentanecarboxylate CAS Name: 1-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-3,4-dihydroxy-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxylate Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonyl-3,4-dihydroxy-cyclopentanecarboxylic acid methyl ester Formula: C19H26BrNO6S MolecularWeight: 476.38184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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