(2S,3R,6R)-6-dodecyl-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-piperidin-3-ol

Systemtic Name: (2S,3R,6R)-6-dodecyl-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-piperidin-3-ol Openeye Name: (2S,3R,6R)-6-dodecyl-2-(hydroxymethyl)-1-(p-tolylsulfonyl)piperidin-3-ol CAS Name: (2S,3R,6R)-6-dodecyl-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-3-piperidinol IUPAC Name: (2S,3R,6R)-6-dodecyl-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-3-ol Traditional Name: (2S,3R,6R)-6-lauryl-2-methylol-1-tosyl-piperidin-3-ol Formula: C25H43NO4S MolecularWeight: 453.67822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-22-16-19-25(28)24(20-27)26(22)31(29,30)23-17-14-21(2)15-18-23/h14-15,17-18,22,24-25,27-28H,3-13,16,19-20H2,1-2H3/t22-,24+,25-/m1/s1