2-(diphenylmethyl)-N-[(2-methoxy-5-methylsulfonyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: 2-(diphenylmethyl)-N-[(2-methoxy-5-methylsulfonyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: 2-benzhydryl-N-[(2-methoxy-5-methylsulfonyl-phenyl)methyl]quinuclidin-3-amine CAS Name: 2-(diphenylmethyl)-N-[(2-methoxy-5-methylsulfonylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: 2-benzhydryl-N-[(2-methoxy-5-methylsulfonylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (2-benzhydrylquinuclidin-3-yl)-(5-mesyl-2-methoxy-benzyl)amine Formula: C29H34N2O3S MolecularWeight: 490.65686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

InChI

InChI=1S/C29H34N2O3S/c1-34-26-14-13-25(35(2,32)33)19-24(26)20-30-28-23-15-17-31(18-16-23)29(28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,23,27-30H,15-18,20H2,1-2H3