N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide Formula: C20H16FNO5S MolecularWeight: 401.408143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)C3=C(C=CC4=C3OCO4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)C3=C(C=CC4=C3OCO4)O

InChI

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