N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)F

InChI

InChI=1S/C19H21FN2O4S/c1-3-26-19-7-6-17(11-18(19)20)27(24,25)21-16-5-4-14-8-9-22(13(2)23)12-15(14)10-16/h4-7,10-11,21H,3,8-9,12H2,1-2H3