(4R,6R)-6-phenylmethoxy-4-(phenylmethoxymethyl)-1-(phenylmethyl)azocane-4-thiol

Systemtic Name: (4R,6R)-6-phenylmethoxy-4-(phenylmethoxymethyl)-1-(phenylmethyl)azocane-4-thiol Openeye Name: (4R,6R)-1-benzyl-6-benzyloxy-4-(benzyloxymethyl)azocane-4-thiol CAS Name: (4R,6R)-6-phenylmethoxy-4-(phenylmethoxymethyl)-1-(phenylmethyl)-4-azocanethiol IUPAC Name: (4R,6R)-1-benzyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane-4-thiol Traditional Name: (4R,6R)-6-benzoxy-4-(benzoxymethyl)-1-benzyl-azocane-4-thiol Formula: C29H35NO2S MolecularWeight: 461.6587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(CC1OCC2=CC=CC=C2)(COCC3=CC=CC=C3)S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[C@@](C[C@@H]1OCC2=CC=CC=C2)(COCC3=CC=CC=C3)S)CC4=CC=CC=C4

InChI

InChI=1S/C29H35NO2S/c33-29(24-31-22-26-12-6-2-7-13-26)17-19-30(21-25-10-4-1-5-11-25)18-16-28(20-29)32-23-27-14-8-3-9-15-27/h1-15,28,33H,16-24H2/t28-,29-/m1/s1