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

Systemtic Name: 4-[6-(4-fluoranyl-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-(4-fluoro-3,5-dimethoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-(4-fluoro-3,5-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-(4-fluoro-3,5-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[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=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1F)OC)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

InChI

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