ethyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-(diethylsulfamoyl)-2,3-dimethylanilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-6-24(7-2)33(30,31)19-9-14(4)15(5)20(13-19)23-21(26)16-10-17(22(27)32-8-3)12-18(11-16)25(28)29/h9-13H,6-8H2,1-5H3,(H,23,26)