2-(diphenylmethyl)-3-[(2-methoxy-5-methylsulfanyl-phenyl)methylamino]-1-azabicyclo[2.2.2]octane-5-carboxamide

Systemtic Name: 2-(diphenylmethyl)-3-[(2-methoxy-5-methylsulfanyl-phenyl)methylamino]-1-azabicyclo[2.2.2]octane-5-carboxamide Openeye Name: 6-benzhydryl-5-[(2-methoxy-5-methylsulfanyl-phenyl)methylamino]quinuclidine-3-carboxamide CAS Name: 2-(diphenylmethyl)-3-[[2-methoxy-5-(methylthio)phenyl]methylamino]-1-azabicyclo[2.2.2]octane-5-carboxamide IUPAC Name: 2-benzhydryl-3-[(2-methoxy-5-methylsulfanylphenyl)methylamino]-1-azabicyclo[2.2.2]octane-5-carboxamide Traditional Name: 6-benzhydryl-5-[[2-methoxy-5-(methylthio)benzyl]amino]quinuclidine-3-carboxamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)SC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3C(=O)N

InChI

InChI=1S/C30H35N3O2S/c1-35-26-14-13-23(36-2)17-22(26)18-32-28-24-15-16-33(19-25(24)30(31)34)29(28)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,24-25,27-29,32H,15-16,18-19H2,1-2H3,(H2,31,34)