(1R,5R,7S)-7-phenylmethoxy-5-(phenylmethoxymethyl)-2-(phenylmethyl)-9-thia-2-azabicyclo[3.3.1]nonane

Systemtic Name: (1R,5R,7S)-7-phenylmethoxy-5-(phenylmethoxymethyl)-2-(phenylmethyl)-9-thia-2-azabicyclo[3.3.1]nonane Openeye Name: (1R,5R,7S)-2-benzyl-7-benzyloxy-5-(benzyloxymethyl)-9-thia-2-azabicyclo[3.3.1]nonane CAS Name: (1R,5R,7S)-7-phenylmethoxy-5-(phenylmethoxymethyl)-2-(phenylmethyl)-9-thia-2-azabicyclo[3.3.1]nonane IUPAC Name: (1R,5R,7S)-2-benzyl-7-phenylmethoxy-5-(phenylmethoxymethyl)-9-thia-2-azabicyclo[3.3.1]nonane Traditional Name: (1R,5R,7S)-7-benzoxy-5-(benzoxymethyl)-2-benzyl-9-thia-2-azabicyclo[3.3.1]nonane Formula: C29H33NO2S MolecularWeight: 459.64282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2CC(CC1(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN([C@H]2C[C@H](C[C@@]1(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33NO2S/c1-4-10-24(11-5-1)20-30-17-16-29(23-31-21-25-12-6-2-7-13-25)19-27(18-28(30)33-29)32-22-26-14-8-3-9-15-26/h1-15,27-28H,16-23H2/t27-,28-,29-/m1/s1