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

Systemtic Name: 4-[6-(4-fluoranyl-3-methoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-(4-fluoro-3-methoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-(4-fluoro-3-methoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-(4-fluoro-3-methoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-(4-fluoro-3-methoxy-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C20H16FNO5S MolecularWeight: 401.408143

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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)N)OCO3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H16FNO5S/c1-25-18-8-13(4-7-17(18)21)16-10-20-19(26-11-27-20)9-15(16)12-2-5-14(6-3-12)28(22,23)24/h2-10H,11H2,1H3,(H2,22,23,24)