[2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-keto-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7S/c1-4-24(5-2)19-11-8-16(25(28)29)12-18(19)21(27)32-13-20(26)23-14(3)15-6-9-17(10-7-15)33(22,30)31/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H2,22,30,31)