4-[2-tert-butyl-1-[4,4,4-tris(fluoranyl)butyl]benzimidazol-5-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[2-tert-butyl-1-[4,4,4-tris(fluoranyl)butyl]benzimidazol-5-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[2-tert-butyl-1-(4,4,4-trifluorobutyl)benzimidazol-5-yl]sulfonylbenzonitrile CAS Name: 4-[[2-tert-butyl-1-(4,4,4-trifluorobutyl)-5-benzimidazolyl]sulfonyl]benzonitrile IUPAC Name: 4-[2-tert-butyl-1-(4,4,4-trifluorobutyl)benzimidazol-5-yl]sulfonylbenzonitrile Traditional Name: 4-[2-tert-butyl-1-(4,4,4-trifluorobutyl)benzimidazol-5-yl]sulfonylbenzonitrile Formula: C22H22F3N3O2S MolecularWeight: 449.48919

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O2S/c1-21(2,3)20-27-18-13-17(31(29,30)16-7-5-15(14-26)6-8-16)9-10-19(18)28(20)12-4-11-22(23,24)25/h5-10,13H,4,11-12H2,1-3H3