3-(5-benzamido-3-oxidanylidene-1H-pyrazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-benzamido-3-oxidanylidene-1H-pyrazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5-benzamido-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5-benzamido-3-oxo-1H-pyrazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-benzamido-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3-benzamido-5-keto-3-pyrazolin-1-yl)propane-1-sulfonic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c17-12-9-11(14-13(18)10-5-2-1-3-6-10)15-16(12)7-4-8-22(19,20)21/h1-3,5-6,9,15H,4,7-8H2,(H,14,18)(H,19,20,21)