2-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-6-fluoranyl-3H-isoindol-1-one

Systemtic Name: 2-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-6-fluoranyl-3H-isoindol-1-one Openeye Name: 6-fluoro-2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)chroman-4-yl]isoindolin-1-one CAS Name: 6-fluoro-2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 6-fluoro-2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 6-fluoro-2-(3-hydroxy-2,2-dimethyl-6-triflyl-chroman-4-yl)isoindolin-1-one Formula: C20H17F4NO5S MolecularWeight: 459.411293

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CC4=C(C3=O)C=C(C=C4)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CC4=C(C3=O)C=C(C=C4)F)O)C

InChI

InChI=1S/C20H17F4NO5S/c1-19(2)17(26)16(25-9-10-3-4-11(21)7-13(10)18(25)27)14-8-12(5-6-15(14)30-19)31(28,29)20(22,23)24/h3-8,16-17,26H,9H2,1-2H3