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

Systemtic Name: 2-[[3-(2-hydroxyethylcarbamoyl)-5-oxidanylidene-4H-pyrazol-1-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[3-(2-hydroxyethylcarbamoyl)-5-oxo-4H-pyrazol-1-yl]methyl]benzenesulfonic acid CAS Name: 2-[[3-[(2-hydroxyethylamino)-oxomethyl]-5-oxo-4H-pyrazol-1-yl]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-(2-hydroxyethylcarbamoyl)-5-oxo-4H-pyrazol-1-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[3-(2-hydroxyethylcarbamoyl)-5-keto-2-pyrazolin-1-yl]methyl]besylic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CC2=CC=CC=C2S(=O)(=O)O)C(=O)NCCO

Isomeric SMILES

C1C(=NN(C1=O)CC2=CC=CC=C2S(=O)(=O)O)C(=O)NCCO

InChI

InChI=1S/C13H15N3O6S/c17-6-5-14-13(19)10-7-12(18)16(15-10)8-9-3-1-2-4-11(9)23(20,21)22/h1-4,17H,5-8H2,(H,14,19)(H,20,21,22)