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

Systemtic Name: N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-3-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/c20-15-5-4-11(21-30(26,27)13-3-1-2-12(9-13)22(24)25)8-14(15)18-16(23)6-7-17-19(18)29-10-28-17/h1-9,21,23H,10H2