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

Systemtic Name: (2S,3R,4R,6R)-4-(2-dibutoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol Openeye Name: (2S,3R,4R,6R)-4-(2-dibutoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol CAS Name: (2S,3R,4R,6R)-4-[2-(dibutoxyphosphorylthio)ethynyl]-3-methyl-2,6-diphenyl-4-piperidinol IUPAC Name: (2S,3R,4R,6R)-4-(2-dibutoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol Traditional Name: (2S,3R,4R,6R)-4-[2-(dibutoxyphosphorylthio)ethynyl]-3-methyl-2,6-diphenyl-piperidin-4-ol Formula: C28H38NO4PS MolecularWeight: 515.644381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)SC#CC1(CC(NC(C1C)C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOP(=O)(OCCCC)SC#C[C@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C28H38NO4PS/c1-4-6-19-32-34(31,33-20-7-5-2)35-21-18-28(30)22-26(24-14-10-8-11-15-24)29-27(23(28)3)25-16-12-9-13-17-25/h8-17,23,26-27,29-30H,4-7,19-20,22H2,1-3H3/t23-,26-,27+,28-/m1/s1