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

Systemtic Name: (4R,6R)-4-methylsulfanyl-6-phenylmethoxy-4-(phenylmethoxymethyl)-1-(phenylmethyl)azocane Openeye Name: (4R,6R)-1-benzyl-6-benzyloxy-4-(benzyloxymethyl)-4-methylsulfanyl-azocane CAS Name: (4R,6R)-4-(methylthio)-6-phenylmethoxy-4-(phenylmethoxymethyl)-1-(phenylmethyl)azocane IUPAC Name: (4R,6R)-1-benzyl-4-methylsulfanyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane Traditional Name: (4R,6R)-6-benzoxy-4-(benzoxymethyl)-1-benzyl-4-(methylthio)azocane Formula: C30H37NO2S MolecularWeight: 475.68528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(CCN(CCC(C1)OCC2=CC=CC=C2)CC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CS[C@@]1(CCN(CC[C@H](C1)OCC2=CC=CC=C2)CC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C30H37NO2S/c1-34-30(25-32-23-27-13-7-3-8-14-27)18-20-31(22-26-11-5-2-6-12-26)19-17-29(21-30)33-24-28-15-9-4-10-16-28/h2-16,29H,17-25H2,1H3/t29-,30-/m1/s1