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

Systemtic Name: 4-[(4-nitrophenyl)methyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(2-hydroxy-1-methyl-2-oxo-ethyl)-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid CAS Name: 4-[(1-hydroxy-1-oxopropan-2-yl)-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(1-hydroxy-1-oxopropan-2-yl)-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 4-[(2-hydroxy-2-keto-1-methyl-ethyl)-(4-nitrobenzyl)sulfamoyl]benzoic acid Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O8S/c1-11(16(20)21)18(10-12-2-6-14(7-3-12)19(24)25)28(26,27)15-8-4-13(5-9-15)17(22)23/h2-9,11H,10H2,1H3,(H,20,21)(H,22,23)