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

Systemtic Name: 4-butoxy-N-[4-(6-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[4-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[4-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[4-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[4-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NCCC4=C3C=CC(=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NCCC4=C3C=CC(=C4)F

InChI

InChI=1S/C25H25FN2O3S/c1-2-3-16-31-22-9-11-23(12-10-22)32(29,30)28-21-7-4-18(5-8-21)25-24-13-6-20(26)17-19(24)14-15-27-25/h4-13,17,28H,2-3,14-16H2,1H3