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

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-[4,4,4-tris(fluoranyl)butylsulfonyl]benzimidazole Openeye Name: 2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole Traditional Name: 2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole Formula: C21H29F3N2O3S MolecularWeight: 446.52677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29F3N2O3S/c1-20(2,3)19-25-17-13-16(30(27,28)12-4-9-21(22,23)24)5-6-18(17)26(19)14-15-7-10-29-11-8-15/h5-6,13,15H,4,7-12,14H2,1-3H3