2-[3-(trifluoromethylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-(trifluoromethylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-(trifluoromethylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione CAS Name: 2-[3-(trifluoromethylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-(trifluoromethylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-triflylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-quinone Formula: C16H14F3NO4S MolecularWeight: 373.34687

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)CC(=O)N(C2=O)C3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)CC(=O)N(C2=O)C3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H14F3NO4S/c17-16(18,19)25(23,24)12-6-3-5-11(9-12)20-14(21)8-10-4-1-2-7-13(10)15(20)22/h3,5-6,9H,1-2,4,7-8H2