3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propanoic acid

Systemtic Name: 3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propanoic acid Openeye Name: 3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propanoic acid CAS Name: 3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propanoic acid IUPAC Name: 3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propanoic acid Traditional Name: 3-[4-(1H-pyrazol-4-ylsulfamoyl)phenoxy]propionic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCC(=O)O)S(=O)(=O)NC2=CNN=C2

Isomeric SMILES

C1=CC(=CC=C1OCCC(=O)O)S(=O)(=O)NC2=CNN=C2

InChI

InChI=1S/C12H13N3O5S/c16-12(17)5-6-20-10-1-3-11(4-2-10)21(18,19)15-9-7-13-14-8-9/h1-4,7-8,15H,5-6H2,(H,13,14)(H,16,17)