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

Systemtic Name: 5-[3,3-bis(fluoranyl)piperidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-[(3,3-difluoro-1-piperidyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3,3-difluoro-1-piperidinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3,3-difluoropiperidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(3,3-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)N4CCCC(C4)(F)F

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCCC(C4)(F)F

InChI

InChI=1S/C22H31F2N3O3S/c1-21(2,3)20-25-18-13-17(31(28,29)26-10-4-9-22(23,24)15-26)5-6-19(18)27(20)14-16-7-11-30-12-8-16/h5-6,13,16H,4,7-12,14-15H2,1-3H3