6-[1-benzofuran-5-yl-phenyl-(trifluoromethylsulfonylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 6-[1-benzofuran-5-yl-phenyl-(trifluoromethylsulfonylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 6-[benzofuran-5-yl-phenyl-(trifluoromethylsulfonylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 6-[5-benzofuranyl-phenyl-(trifluoromethylsulfonylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid IUPAC Name: 6-[1-benzofuran-5-yl-phenyl-(trifluoromethylsulfonylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 6-[benzofuran-5-yl-phenyl-(triflylamino)methyl]-2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C26H21F3N4O5S MolecularWeight: 558.52895

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=C(C(=N2)C(=O)O)C(C3=CC=CC=C3)(C4=CC5=C(C=C4)OC=C5)NS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=C(C(=N2)C(=O)O)C(C3=CC=CC=C3)(C4=CC5=C(C=C4)OC=C5)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C26H21F3N4O5S/c1-3-19-30-21-14(2)20(22(24(34)35)32-23(21)31-19)25(16-7-5-4-6-8-16,33-39(36,37)26(27,28)29)17-9-10-18-15(13-17)11-12-38-18/h4-13,33H,3H2,1-2H3,(H,34,35)(H,30,31,32)