3-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 3-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 3-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 3-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-(3-acetamido-5-keto-3-pyrazolin-1-yl)besylic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O5S/c1-7(15)12-10-6-11(16)14(13-10)8-3-2-4-9(5-8)20(17,18)19/h2-6,13H,1H3,(H,12,15)(H,17,18,19)