(2S,3R,4R,6R)-4-(2-dimethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol

Systemtic Name: (2S,3R,4R,6R)-4-(2-dimethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol Openeye Name: (2S,3R,4R,6R)-4-(2-dimethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol CAS Name: (2S,3R,4R,6R)-4-[2-(dimethoxyphosphorylthio)ethynyl]-3-methyl-2,6-diphenyl-4-piperidinol IUPAC Name: (2S,3R,4R,6R)-4-(2-dimethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol Traditional Name: (2S,3R,4R,6R)-4-[2-(dimethoxyphosphorylthio)ethynyl]-3-methyl-2,6-diphenyl-piperidin-4-ol Formula: C22H26NO4PS MolecularWeight: 431.484901

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(CC1(C#CSP(=O)(OC)OC)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](N[C@H](C[C@@]1(C#CSP(=O)(OC)OC)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26NO4PS/c1-17-21(19-12-8-5-9-13-19)23-20(18-10-6-4-7-11-18)16-22(17,24)14-15-29-28(25,26-2)27-3/h4-13,17,20-21,23-24H,16H2,1-3H3/t17-,20-,21+,22-/m1/s1