2,2,2-tris(fluoranyl)-N-[[2-[6-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-7-oxidanylidene-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl]methyl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[[2-[6-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-7-oxidanylidene-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl]methyl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[[2-[6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl]methyl]acetamide CAS Name: 2,2,2-trifluoro-N-[[2-[6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl]methyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[[2-[6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl]methyl]acetamide Traditional Name: 2,2,2-trifluoro-N-[2-[6-[2-fluoro-4-(2-mesylphenyl)phenyl]-7-keto-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzyl]acetamide Formula: C29H21F7N4O4S MolecularWeight: 654.555262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(F)(F)F)C5=CC=CC=C5CNC(=O)C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(F)(F)F)C5=CC=CC=C5CNC(=O)C(F)(F)F)F

InChI

InChI=1S/C29H21F7N4O4S/c1-45(43,44)23-9-5-3-7-18(23)16-10-11-22(20(30)14-16)39-13-12-19-24(26(39)41)40(38-25(19)28(31,32)33)21-8-4-2-6-17(21)15-37-27(42)29(34,35)36/h2-11,14H,12-13,15H2,1H3,(H,37,42)