N-isoquinolin-3-yl-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-isoquinolin-3-yl-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-(3-isoquinolyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-(3-isoquinolinyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-isoquinolin-3-yl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: N-(3-isoquinolyl)-4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Formula: C26H18F3N3O3S MolecularWeight: 509.49963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NS(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)NC(=O)C=C5C(F)(F)F

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NS(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)NC(=O)C=C5C(F)(F)F

InChI

InChI=1S/C26H18F3N3O3S/c27-26(28,29)22-14-25(33)31-23-10-7-17(12-21(22)23)11-16-5-8-20(9-6-16)36(34,35)32-24-13-18-3-1-2-4-19(18)15-30-24/h1-10,12-15H,11H2,(H,30,32)(H,31,33)