3-[5-(methylcarbamoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5-(methylcarbamoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]propane-1-sulfonic acid CAS Name: 3-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]-1-propanesulfonic acid IUPAC Name: 3-[5-(methylcarbamoylamino)-3-oxo-1H-pyrazol-2-yl]propane-1-sulfonic acid Traditional Name: 3-[5-keto-3-(methylcarbamoylamino)-3-pyrazolin-1-yl]propane-1-sulfonic acid Formula: C8H14N4O5S MolecularWeight: 278.28556

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC(=O)N(N1)CCCS(=O)(=O)O

Isomeric SMILES

CNC(=O)NC1=CC(=O)N(N1)CCCS(=O)(=O)O

InChI

InChI=1S/C8H14N4O5S/c1-9-8(14)10-6-5-7(13)12(11-6)3-2-4-18(15,16)17/h5,11H,2-4H2,1H3,(H2,9,10,14)(H,15,16,17)