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

Systemtic Name: 4-ethoxy-3-fluoranyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-3-20(24)23-10-9-14-5-6-16(11-15(14)13-23)22-28(25,26)17-7-8-19(27-4-2)18(21)12-17/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3