[3-(dimethylsulfamoyl)phenyl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C18H20N2O8S MolecularWeight: 424.425

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H20N2O8S/c1-19(2)29(24,25)13-7-5-6-12(8-13)11-28-18(21)14-9-16(26-3)17(27-4)10-15(14)20(22)23/h5-10H,11H2,1-4H3