3-[4-(5-methylhexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-methylhexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(1,4-dimethylpentylsulfamoyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(5-methylhexan-2-ylsulfamoyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(5-methylhexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(1,4-dimethylpentylsulfamoyl)pyrazol-1-yl]propionic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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