4-[2-[[1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[1-[2-(trifluoromethyl)phenyl]-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C20H17F3N6O2S MolecularWeight: 462.44819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H17F3N6O2S/c21-20(22,23)16-3-1-2-4-17(16)29-19-15(11-28-29)18(26-12-27-19)25-10-9-13-5-7-14(8-6-13)32(24,30)31/h1-8,11-12H,9-10H2,(H2,24,30,31)(H,25,26,27)