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

Systemtic Name: ethyl 3-[[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H28N4O7S/c1-6-25(7-2)34(31,32)18-9-10-20(24(4)5)19(14-18)23-21(27)15-11-16(22(28)33-8-3)13-17(12-15)26(29)30/h9-14H,6-8H2,1-5H3,(H,23,27)