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

Systemtic Name: 4-tert-butyl-N-[3-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H25FN2O2S MolecularWeight: 436.541603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2O2S/c1-25(2,3)19-8-11-22(12-9-19)31(29,30)28-21-6-4-5-18(15-21)24-23-16-20(26)10-7-17(23)13-14-27-24/h4-12,15-16,28H,13-14H2,1-3H3