2-[4-(octan-2-ylsulfamoyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(octan-2-ylsulfamoyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methylheptylsulfamoyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(octan-2-ylsulfamoyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(octan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(1-methylheptylsulfamoyl)pyrazol-1-yl]acetic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NS(=O)(=O)C1=CN(N=C1)CC(=O)O

Isomeric SMILES

CCCCCCC(C)NS(=O)(=O)C1=CN(N=C1)CC(=O)O

InChI

InChI=1S/C13H23N3O4S/c1-3-4-5-6-7-11(2)15-21(19,20)12-8-14-16(9-12)10-13(17)18/h8-9,11,15H,3-7,10H2,1-2H3,(H,17,18)