[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

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