5-fluoranyl-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide

Systemtic Name: 5-fluoranyl-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 5-fluoro-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 5-fluoro-2-methoxy-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 5-fluoro-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 5-fluoro-2-methoxy-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

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