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

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-3,4-bis(oxidanyl)cyclopentane-1-carboxylate Openeye Name: 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-cyclopentanecarboxylate IUPAC Name: 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-cyclopentanecarboxylate Formula: C18H23BrNO6S- MolecularWeight: 461.34732

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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)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CC(C(C3)O)O)C(=O)[O-])Br

InChI

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