6-[(2R,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-piperidin-2-yl]hexanoic acid

Systemtic Name: 6-[(2R,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-piperidin-2-yl]hexanoic acid Openeye Name: 6-[(2R,5S,6S)-5-hydroxy-6-methyl-1-(p-tolylsulfonyl)-2-piperidyl]hexanoic acid CAS Name: 6-[(2R,5S,6S)-5-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-piperidinyl]hexanoic acid IUPAC Name: 6-[(2R,5S,6S)-5-hydroxy-6-methyl-1-(4-methylphenyl)sulfonylpiperidin-2-yl]hexanoic acid Traditional Name: 6-[(2R,5S,6S)-5-hydroxy-6-methyl-1-tosyl-2-piperidyl]hexanoic acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)CCCCCC(=O)O)O

Isomeric SMILES

C[C@H]1[C@H](CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCCCCC(=O)O)O

InChI

InChI=1S/C19H29NO5S/c1-14-8-11-17(12-9-14)26(24,25)20-15(2)18(21)13-10-16(20)6-4-3-5-7-19(22)23/h8-9,11-12,15-16,18,21H,3-7,10,13H2,1-2H3,(H,22,23)/t15-,16+,18-/m0/s1