(1S,3S,4S,5R)-3-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxamide

Systemtic Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxamide Openeye Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxamide CAS Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylthio]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxamide IUPAC Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxamide Traditional Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-methyl-N-[2-(p-anisylthio)ethyl]-8-azabicyclo[3.2.1]octane-4-carboxamide Formula: C25H31ClN2O2S MolecularWeight: 459.04384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)C(=O)NCCSCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)NCCSCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31ClN2O2S/c1-28-20-9-12-23(28)24(22(15-20)18-5-7-19(26)8-6-18)25(29)27-13-14-31-16-17-3-10-21(30-2)11-4-17/h3-8,10-11,20,22-24H,9,12-16H2,1-2H3,(H,27,29)/t20-,22+,23+,24-/m0/s1