N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluoro-benzenesulfonamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluorobenzenesulfonamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-fluoro-benzenesulfonamide Formula: C25H27FN2O4S MolecularWeight: 470.556283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)OC

InChI

InChI=1S/C25H27FN2O4S/c1-31-23-15-19-12-14-28(17-20(19)16-24(23)32-2)13-11-18-7-9-21(10-8-18)27-33(29,30)25-6-4-3-5-22(25)26/h3-10,15-16,27H,11-14,17H2,1-2H3