[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H25N3O9S MolecularWeight: 495.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O9S/c1-5-23(6-2)34(29,30)15-9-7-14(8-10-15)22-20(25)13-33-21(26)16-11-18(31-3)19(32-4)12-17(16)24(27)28/h7-12H,5-6,13H2,1-4H3,(H,22,25)