4-[3-(2-hydroxyethylcarbamoyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3-(2-hydroxyethylcarbamoyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-(2-hydroxyethylcarbamoyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-[(2-hydroxyethylamino)-oxomethyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[3-(2-hydroxyethylcarbamoyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[3-(2-hydroxyethylcarbamoyl)-5-keto-2-pyrazolin-1-yl]besylic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)NCCO

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)NCCO

InChI

InChI=1S/C12H13N3O6S/c16-6-5-13-12(18)10-7-11(17)15(14-10)8-1-3-9(4-2-8)22(19,20)21/h1-4,16H,5-7H2,(H,13,18)(H,19,20,21)