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

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-12-3-2-4-15(17(12)21(24)25)18(23)28-11-16(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)