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

Systemtic Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[4-(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=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

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

InChI

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