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

Systemtic Name: 5-(4-fluoranyl-3-methoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(4-fluoro-3-methoxy-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(4-fluoro-3-methoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(4-fluoro-3-methoxyphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(4-fluoro-3-methoxy-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H17FO5S MolecularWeight: 400.420083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)F

InChI

InChI=1S/C21H17FO5S/c1-25-19-9-14(5-8-18(19)22)17-11-21-20(26-12-27-21)10-16(17)13-3-6-15(7-4-13)28(2,23)24/h3-11H,12H2,1-2H3