5-[3,5-bis(fluoranyl)-4-methoxy-phenyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-[3,5-bis(fluoranyl)-4-methoxy-phenyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(3,5-difluoro-4-methoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(3,5-difluoro-4-methoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3,5-difluoro-4-methoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(3,5-difluoro-4-methoxy-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H16F2O5S MolecularWeight: 418.410546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F2O5S/c1-26-21-17(22)7-13(8-18(21)23)16-10-20-19(27-11-28-20)9-15(16)12-3-5-14(6-4-12)29(2,24)25/h3-10H,11H2,1-2H3