5-(4-fluoranyl-3,5-dimethoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-(4-fluoranyl-3,5-dimethoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(4-fluoro-3,5-dimethoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(4-fluoro-3,5-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(4-fluoro-3,5-dimethoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(4-fluoro-3,5-dimethoxy-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C22H19FO6S MolecularWeight: 430.446063

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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)C)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C22H19FO6S/c1-26-20-8-14(9-21(27-2)22(20)23)17-11-19-18(28-12-29-19)10-16(17)13-4-6-15(7-5-13)30(3,24)25/h4-11H,12H2,1-3H3