3-[(4-nitrophenyl)methyl-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methyl-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(hydroxyamino)-1-methyl-2-oxo-ethyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[[1-(hydroxyamino)-1-oxopropan-2-yl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[1-(hydroxyamino)-1-oxopropan-2-yl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(hydroxyamino)-2-keto-1-methyl-ethyl]-(4-nitrobenzyl)sulfamoyl]benzoic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NO)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NO)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H17N3O8S/c1-11(16(21)18-24)19(10-12-5-7-14(8-6-12)20(25)26)29(27,28)15-4-2-3-13(9-15)17(22)23/h2-9,11,24H,10H2,1H3,(H,18,21)(H,22,23)