N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-2-nitro-benzenesulfonamide Formula: C19H13FN2O7S MolecularWeight: 432.379123

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])F

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])F

InChI

InChI=1S/C19H13FN2O7S/c20-13-6-5-11(21-30(26,27)17-4-2-1-3-14(17)22(24)25)9-12(13)18-15(23)7-8-16-19(18)29-10-28-16/h1-9,21,23H,10H2