N-[3-(6-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-(6-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[3-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[3-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[3-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)F

InChI

InChI=1S/C23H21FN2O4S/c1-29-19-7-9-21(30-2)22(14-19)31(27,28)26-18-5-3-4-16(13-18)23-20-8-6-17(24)12-15(20)10-11-25-23/h3-9,12-14,26H,10-11H2,1-2H3