2-tert-butyl-5-pyridin-4-ylsulfonyl-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole

Systemtic Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole Openeye Name: 2-tert-butyl-5-(4-pyridylsulfonyl)-1-(4,4,4-trifluorobutyl)benzimidazole CAS Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-(4,4,4-trifluorobutyl)benzimidazole IUPAC Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-(4,4,4-trifluorobutyl)benzimidazole Traditional Name: 2-tert-butyl-5-(4-pyridylsulfonyl)-1-(4,4,4-trifluorobutyl)benzimidazole Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)S(=O)(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)S(=O)(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H22F3N3O2S/c1-19(2,3)18-25-16-13-15(29(27,28)14-7-10-24-11-8-14)5-6-17(16)26(18)12-4-9-20(21,22)23/h5-8,10-11,13H,4,9,12H2,1-3H3