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

Systemtic Name: 3-[3-oxidanylidene-5-(phenylcarbamoylamino)-1H-pyrazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-[3-oxo-5-(phenylcarbamoylamino)-1H-pyrazol-2-yl]propane-1-sulfonic acid CAS Name: 3-[5-[[anilino(oxo)methyl]amino]-3-oxo-1H-pyrazol-2-yl]-1-propanesulfonic acid IUPAC Name: 3-[3-oxo-5-(phenylcarbamoylamino)-1H-pyrazol-2-yl]propane-1-sulfonic acid Traditional Name: 3-[5-keto-3-(phenylcarbamoylamino)-3-pyrazolin-1-yl]propane-1-sulfonic acid Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC(=O)N(N2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC(=O)N(N2)CCCS(=O)(=O)O

InChI

InChI=1S/C13H16N4O5S/c18-12-9-11(16-17(12)7-4-8-23(20,21)22)15-13(19)14-10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H2,14,15,19)(H,20,21,22)