N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-oxidanyl-phenyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-oxidanyl-phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-hydroxy-phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-hydroxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-hydroxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-hydroxy-phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H16ClF3N2O4S MolecularWeight: 496.88665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=CC(=C2)Cl)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O

Isomeric SMILES

C1CN=C(C2=C1C=CC(=C2)Cl)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O

InChI

InChI=1S/C22H16ClF3N2O4S/c23-15-3-1-13-9-10-27-21(18(13)12-15)14-2-8-19(20(29)11-14)28-33(30,31)17-6-4-16(5-7-17)32-22(24,25)26/h1-8,11-12,28-29H,9-10H2