[2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-13(14-5-8-16(9-6-14)32(22,29)30)23-19(25)12-31-20(26)15-7-10-17(21(2,3)4)18(11-15)24(27)28/h5-11,13H,12H2,1-4H3,(H,23,25)(H2,22,29,30)