N-(1-diethoxyphosphoryl-7-fluoranyl-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide

Systemtic Name: N-(1-diethoxyphosphoryl-7-fluoranyl-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide Openeye Name: N-(1-diethoxyphosphoryl-7-fluoro-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide CAS Name: N-(1-diethoxyphosphoryl-7-fluoro-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide IUPAC Name: N-(1-diethoxyphosphoryl-7-fluoro-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide Traditional Name: N-(1-diethoxyphosphoryl-7-fluoro-3-phenyl-1H-isoquinolin-2-yl)benzenesulfonamide Formula: C25H26FN2O5PS MolecularWeight: 516.521504

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C2=C(C=CC(=C2)F)C=C(N1NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(C1C2=C(C=CC(=C2)F)C=C(N1NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H26FN2O5PS/c1-3-32-34(29,33-4-2)25-23-18-21(26)16-15-20(23)17-24(19-11-7-5-8-12-19)28(25)27-35(30,31)22-13-9-6-10-14-22/h5-18,25,27H,3-4H2,1-2H3