2-(3-acetamido-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)benzenesulfonic acid

Systemtic Name: 2-(3-acetamido-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)benzenesulfonic acid Openeye Name: 2-(3-acetamido-3-methyl-5-oxo-4H-pyrazol-4-yl)benzenesulfonic acid CAS Name: 2-(3-acetamido-3-methyl-5-oxo-4H-pyrazol-4-yl)benzenesulfonic acid IUPAC Name: 2-(3-acetamido-3-methyl-5-oxo-4H-pyrazol-4-yl)benzenesulfonic acid Traditional Name: 2-(3-acetamido-5-keto-3-methyl-1-pyrazolin-4-yl)besylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(C(=O)N=N1)C2=CC=CC=C2S(=O)(=O)O)C

Isomeric SMILES

CC(=O)NC1(C(C(=O)N=N1)C2=CC=CC=C2S(=O)(=O)O)C

InChI

InChI=1S/C12H13N3O5S/c1-7(16)13-12(2)10(11(17)14-15-12)8-5-3-4-6-9(8)21(18,19)20/h3-6,10H,1-2H3,(H,13,16)(H,18,19,20)