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

Systemtic Name: 4-bromanyl-N-[4-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[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=C(C=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=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

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