2-tert-butyl-1-(oxan-4-ylmethyl)-5-[3,3,3-tris(fluoranyl)propylsulfonyl]benzimidazole

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-[3,3,3-tris(fluoranyl)propylsulfonyl]benzimidazole Openeye Name: 2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)-5-(3,3,3-trifluoropropylsulfonyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-(3,3,3-trifluoropropylsulfonyl)benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(3,3,3-trifluoropropylsulfonyl)benzimidazole Traditional Name: 2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)-5-(3,3,3-trifluoropropylsulfonyl)benzimidazole Formula: C20H27F3N2O3S MolecularWeight: 432.50019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27F3N2O3S/c1-19(2,3)18-24-16-12-15(29(26,27)11-8-20(21,22)23)4-5-17(16)25(18)13-14-6-9-28-10-7-14/h4-5,12,14H,6-11,13H2,1-3H3