(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18N2O9S MolecularWeight: 474.44062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O9S/c24-21(31-12-16-9-17(23(25)26)8-15-11-29-13-32-20(15)16)14-3-5-19(6-4-14)33(27,28)22-10-18-2-1-7-30-18/h1-9,22H,10-13H2