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

Systemtic Name: 4-[5-(methylcarbamoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-(methylcarbamoylamino)-3-pyrazolin-1-yl]besylic acid Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O5S/c1-12-11(17)13-9-6-10(16)15(14-9)7-2-4-8(5-3-7)21(18,19)20/h2-6,14H,1H3,(H2,12,13,17)(H,18,19,20)