5-[3,3-bis(fluoranyl)azetidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole

Systemtic Name: 5-[3,3-bis(fluoranyl)azetidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3,3-difluoro-1-azetidinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C20H27F2N3O3S MolecularWeight: 427.508486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CC(C4)(F)F

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CC(C4)(F)F

InChI

InChI=1S/C20H27F2N3O3S/c1-19(2,3)18-23-16-10-15(29(26,27)24-12-20(21,22)13-24)4-5-17(16)25(18)11-14-6-8-28-9-7-14/h4-5,10,14H,6-9,11-13H2,1-3H3