(1R,4R,5S)-3-(1-methylimidazol-4-yl)sulfonyl-N-(5-propan-2-yloxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-5-carboxamide

Systemtic Name: (1R,4R,5S)-3-(1-methylimidazol-4-yl)sulfonyl-N-(5-propan-2-yloxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-5-carboxamide Openeye Name: (1R,4R,5S)-N-(5-isopropoxy-2-pyridyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[2.2.2]octane-5-carboxamide CAS Name: (1R,4R,5S)-3-[(1-methyl-4-imidazolyl)sulfonyl]-N-(5-propan-2-yloxy-2-pyridinyl)-3-azabicyclo[2.2.2]octane-5-carboxamide IUPAC Name: (1R,4R,5S)-3-(1-methylimidazol-4-yl)sulfonyl-N-(5-propan-2-yloxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-5-carboxamide Traditional Name: (1R,4R,5S)-N-(5-isopropoxy-2-pyridyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[2.2.2]octane-5-carboxamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=C(C=C1)NC(=O)C2CC3CCC2N(C3)S(=O)(=O)C4=CN(C=N4)C

Isomeric SMILES

CC(C)OC1=CN=C(C=C1)NC(=O)[C@H]2C[C@H]3CC[C@H]2N(C3)S(=O)(=O)C4=CN(C=N4)C

InChI

InChI=1S/C20H27N5O4S/c1-13(2)29-15-5-7-18(21-9-15)23-20(26)16-8-14-4-6-17(16)25(10-14)30(27,28)19-11-24(3)12-22-19/h5,7,9,11-14,16-17H,4,6,8,10H2,1-3H3,(H,21,23,26)/t14-,16+,17-/m1/s1