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

Systemtic Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C22H17F3N2O2S MolecularWeight: 430.44279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N2O2S/c23-22(24,25)17-7-4-9-19(14-17)30(28,29)27-18-8-3-6-16(13-18)21-20-10-2-1-5-15(20)11-12-26-21/h1-10,13-14,27H,11-12H2