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

Systemtic Name: 5-(4-fluoranyl-3,5-dimethyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(4-fluoro-3,5-dimethyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(4-fluoro-3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(4-fluoro-3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(4-fluoro-3,5-dimethyl-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C22H19FO4S MolecularWeight: 398.447263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1F)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CC1=CC(=CC(=C1F)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C22H19FO4S/c1-13-8-16(9-14(2)22(13)23)19-11-21-20(26-12-27-21)10-18(19)15-4-6-17(7-5-15)28(3,24)25/h4-11H,12H2,1-3H3