N-[4-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-methyl-benzenesulfonamide Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NCCC4=C3C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NCCC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H19FN2O2S/c1-15-2-10-20(11-3-15)28(26,27)25-19-8-5-17(6-9-19)22-21-14-18(23)7-4-16(21)12-13-24-22/h2-11,14,25H,12-13H2,1H3