3-[(2S,5S,6R)-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-2-yl]propan-1-ol

Systemtic Name: 3-[(2S,5S,6R)-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-2-yl]propan-1-ol Openeye Name: 3-[(2S,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)-1-(p-tolylsulfonyl)-2-piperidyl]propan-1-ol CAS Name: 3-[(2S,5S,6R)-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-piperidinyl]-1-propanol IUPAC Name: 3-[(2S,5S,6R)-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidin-2-yl]propan-1-ol Traditional Name: 3-[(2S,5S,6R)-5-benzoxy-6-(benzoxymethyl)-1-tosyl-2-piperidyl]propan-1-ol Formula: C30H37NO5S MolecularWeight: 523.68348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC(C2COCC3=CC=CC=C3)OCC4=CC=CC=C4)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](CC[C@@H]([C@H]2COCC3=CC=CC=C3)OCC4=CC=CC=C4)CCCO

InChI

InChI=1S/C30H37NO5S/c1-24-14-17-28(18-15-24)37(33,34)31-27(13-8-20-32)16-19-30(36-22-26-11-6-3-7-12-26)29(31)23-35-21-25-9-4-2-5-10-25/h2-7,9-12,14-15,17-18,27,29-30,32H,8,13,16,19-23H2,1H3/t27-,29+,30-/m0/s1