[1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 4-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-12(28-18(23)14-4-6-15(7-5-14)21(24)25)17(22)20-11-10-13-2-8-16(9-3-13)29(19,26)27/h2-9,12H,10-11H2,1H3,(H,20,22)(H2,19,26,27)