2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-triflylbenzyl)-4H-isoquinoline-1,3-quinone Formula: C17H12F3NO4S MolecularWeight: 383.34169

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H12F3NO4S/c18-17(19,20)26(24,25)13-6-3-4-11(8-13)10-21-15(22)9-12-5-1-2-7-14(12)16(21)23/h1-8H,9-10H2