N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H17F3N2O3S/c23-22(24,25)30-18-8-10-19(11-9-18)31(28,29)27-17-6-3-5-16(14-17)21-20-7-2-1-4-15(20)12-13-26-21/h1-11,14,27H,12-13H2