[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C23H28N4O8S MolecularWeight: 520.55542

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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=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C23H28N4O8S/c1-3-26(4-2)36(32,33)19-8-5-17(6-9-19)24-22(28)16-35-23(29)20-15-18(27(30)31)7-10-21(20)25-11-13-34-14-12-25/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,28)