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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21FN2O8S MolecularWeight: 468.452743

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21FN2O8S/c1-3-22(4-2)32(27,28)16-5-6-18(21)17(9-16)20(24)30-11-14-8-15(23(25)26)7-13-10-29-12-31-19(13)14/h5-9H,3-4,10-12H2,1-2H3