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

Systemtic Name: 5-[4,4-bis(fluoranyl)piperidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-[(4,4-difluoro-1-piperidyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(4,4-difluoro-1-piperidinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(4,4-difluoropiperidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(4,4-difluoropiperidino)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C22H31F2N3O3S MolecularWeight: 455.561646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)(F)F

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)(F)F

InChI

InChI=1S/C22H31F2N3O3S/c1-21(2,3)20-25-18-14-17(31(28,29)26-10-8-22(23,24)9-11-26)4-5-19(18)27(20)15-16-6-12-30-13-7-16/h4-5,14,16H,6-13,15H2,1-3H3