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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O9S MolecularWeight: 488.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H20N2O9S/c1-14-4-5-19(34(28,29)23-10-18-3-2-6-31-18)9-20(14)22(25)32-12-16-8-17(24(26)27)7-15-11-30-13-33-21(15)16/h2-9,23H,10-13H2,1H3