N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxypyridin-4-yl)sulfanyl-benzamide

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxypyridin-4-yl)sulfanyl-benzamide Openeye Name: 4-[(3-methoxy-4-pyridyl)sulfanyl]-N-[(3R)-quinuclidin-3-yl]benzamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(3-methoxy-4-pyridinyl)thio]benzamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxypyridin-4-yl)sulfanylbenzamide Traditional Name: 4-[(3-methoxy-4-pyridyl)thio]-N-[(3R)-quinuclidin-3-yl]benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1)SC2=CC=C(C=C2)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

COC1=C(C=CN=C1)SC2=CC=C(C=C2)C(=O)N[C@H]3CN4CCC3CC4

InChI

InChI=1S/C20H23N3O2S/c1-25-18-12-21-9-6-19(18)26-16-4-2-15(3-5-16)20(24)22-17-13-23-10-7-14(17)8-11-23/h2-6,9,12,14,17H,7-8,10-11,13H2,1H3,(H,22,24)/t17-/m0/s1