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

Systemtic Name: 4-[5-(methylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(methylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-(methylcarbamoyl)-3-pyrazolin-1-yl]besylic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CNC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

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