(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17F2NO6S MolecularWeight: 461.435286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N)F)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N)F)F

InChI

InChI=1S/C22H17F2NO6S/c23-16-8-14(11-29-21(26)18-10-17(32(25,27)28)6-7-19(18)24)20-15(9-16)12-30-22(31-20)13-4-2-1-3-5-13/h1-10,22H,11-12H2,(H2,25,27,28)