6-(3-fluoranylpyrrolidin-1-yl)-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole

Systemtic Name: 6-(3-fluoranylpyrrolidin-1-yl)-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole Openeye Name: 6-(3-fluoropyrrolidin-1-yl)-5-(4-methylsulfonylphenoxy)-2-(2-pyridyl)-1H-benzimidazole CAS Name: 6-(3-fluoro-1-pyrrolidinyl)-5-(4-methylsulfonylphenoxy)-2-(2-pyridinyl)-1H-benzimidazole IUPAC Name: 6-(3-fluoropyrrolidin-1-yl)-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole Traditional Name: 6-(3-fluoropyrrolidino)-5-(4-mesylphenoxy)-2-(2-pyridyl)-1H-benzimidazole Formula: C23H21FN4O3S MolecularWeight: 452.501243

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)N=C(N3)C4=CC=CC=N4)N5CCC(C5)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)N=C(N3)C4=CC=CC=N4)N5CCC(C5)F

InChI

InChI=1S/C23H21FN4O3S/c1-32(29,30)17-7-5-16(6-8-17)31-22-13-20-19(12-21(22)28-11-9-15(24)14-28)26-23(27-20)18-4-2-3-10-25-18/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,26,27)