[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C16H15N3O9S2 MolecularWeight: 457.435

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O9S2/c1-29(24,25)14-6-5-10(7-13(14)19(22)23)16(21)28-9-15(20)18-11-3-2-4-12(8-11)30(17,26)27/h2-8H,9H2,1H3,(H,18,20)(H2,17,26,27)