3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-6-sulfonamide Formula: C26H20F3N3O4S MolecularWeight: 527.51491

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CNC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CNC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H20F3N3O4S/c27-26(28,29)18-6-3-7-19(12-18)31-37(35,36)20-8-9-23-21(13-20)24(33)22(14-30-23)25(34)32-11-10-16-4-1-2-5-17(16)15-32/h1-9,12-14,31H,10-11,15H2,(H,30,33)