N-[6-(4-fluoranyl-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: N-[6-(4-fluoranyl-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: N-[6-(4-fluoro-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: N-[6-(4-fluoro-3,5-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: N-[6-(4-fluoro-3,5-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: N-[6-(4-fluoro-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H18FNO6S MolecularWeight: 431.434123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1F)OC)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1F)OC)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3

InChI

InChI=1S/C21H18FNO6S/c1-26-19-8-13(9-20(27-2)21(19)22)15-10-17-18(29-12-28-17)11-16(15)23-30(24,25)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3