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

Systemtic Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-[5,5,5-tris(fluoranyl)pentyl]benzimidazole Openeye Name: 2-tert-butyl-5-(4-pyridylsulfonyl)-1-(5,5,5-trifluoropentyl)benzimidazole CAS Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-(5,5,5-trifluoropentyl)benzimidazole IUPAC Name: 2-tert-butyl-5-pyridin-4-ylsulfonyl-1-(5,5,5-trifluoropentyl)benzimidazole Traditional Name: 2-tert-butyl-5-(4-pyridylsulfonyl)-1-(5,5,5-trifluoropentyl)benzimidazole Formula: C21H24F3N3O2S MolecularWeight: 439.49437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CCCCC(F)(F)F)C=CC(=C2)S(=O)(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CCCCC(F)(F)F)C=CC(=C2)S(=O)(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H24F3N3O2S/c1-20(2,3)19-26-17-14-16(30(28,29)15-8-11-25-12-9-15)6-7-18(17)27(19)13-5-4-10-21(22,23)24/h6-9,11-12,14H,4-5,10,13H2,1-3H3