methyl 3-nitro-5-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzoic acid methyl ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7S/c1-27-17(22)13-8-12(9-14(10-13)20(23)24)16(21)19-7-6-11-2-4-15(5-3-11)28(18,25)26/h2-5,8-10H,6-7H2,1H3,(H,19,21)(H2,18,25,26)