4-bromanyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H19BrN4O2S/c24-18-9-11-19(12-10-18)31(29,30)27-22-23(26-21-8-4-3-7-20(21)25-22)28-14-13-16-5-1-2-6-17(16)15-28/h1-12H,13-15H2,(H,25,27)