4-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(hydroxyamino)-3-oxo-propyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(hydroxyamino)-3-keto-propyl]-(4-nitrobenzyl)sulfamoyl]benzoic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCC(=O)NO)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CCC(=O)NO)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O8S/c21-16(18-24)9-10-19(11-12-1-5-14(6-2-12)20(25)26)29(27,28)15-7-3-13(4-8-15)17(22)23/h1-8,24H,9-11H2,(H,18,21)(H,22,23)