3-cyano-N-[(2-fluoranyl-6-nitro-phenyl)methyl]-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)benzenesulfonamide

Systemtic Name: 3-cyano-N-[(2-fluoranyl-6-nitro-phenyl)methyl]-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)benzenesulfonamide Openeye Name: 3-cyano-N-[(2-fluoro-6-nitro-phenyl)methyl]-N-(3-oxo-1H-isobenzofuran-5-yl)benzenesulfonamide CAS Name: 3-cyano-N-[(2-fluoro-6-nitrophenyl)methyl]-N-(3-oxo-1H-isobenzofuran-5-yl)benzenesulfonamide IUPAC Name: 3-cyano-N-[(2-fluoro-6-nitrophenyl)methyl]-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide Traditional Name: 3-cyano-N-(2-fluoro-6-nitro-benzyl)-N-(3-ketophthalan-5-yl)benzenesulfonamide Formula: C22H14FN3O6S MolecularWeight: 467.426463

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)N(CC3=C(C=CC=C3F)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C#N)C(=O)O1

Isomeric SMILES

C1C2=C(C=C(C=C2)N(CC3=C(C=CC=C3F)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C#N)C(=O)O1

InChI

InChI=1S/C22H14FN3O6S/c23-20-5-2-6-21(26(28)29)19(20)12-25(16-8-7-15-13-32-22(27)18(15)10-16)33(30,31)17-4-1-3-14(9-17)11-24/h1-10H,12-13H2