2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-ethanoylpyridin-2-yl)sulfanyl-benzamide

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-ethanoylpyridin-2-yl)sulfanyl-benzamide Openeye Name: 4-[(4-acetyl-2-pyridyl)sulfanyl]-2-quinuclidin-3-yl-benzamide CAS Name: 4-[(4-acetyl-2-pyridinyl)thio]-2-(1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(4-acetylpyridin-2-yl)sulfanyl-2-(1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(4-acetyl-2-pyridyl)thio]-2-quinuclidin-3-yl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=NC=C1)SC2=CC(=C(C=C2)C(=O)N)C3CN4CCC3CC4

Isomeric SMILES

CC(=O)C1=CC(=NC=C1)SC2=CC(=C(C=C2)C(=O)N)C3CN4CCC3CC4

InChI

InChI=1S/C21H23N3O2S/c1-13(25)15-4-7-23-20(10-15)27-16-2-3-17(21(22)26)18(11-16)19-12-24-8-5-14(19)6-9-24/h2-4,7,10-11,14,19H,5-6,8-9,12H2,1H3,(H2,22,26)