4-bromanyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Formula: C22H16BrF3N2O2S MolecularWeight: 509.33885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrF3N2O2S/c23-17-5-7-19(8-6-17)31(29,30)28-18-3-1-2-15(13-18)21-20-9-4-16(22(24,25)26)12-14(20)10-11-27-21/h1-9,12-13,28H,10-11H2