3-[3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NS(=O)(=O)C1=C(N(N=C1C)CCC(=O)O)C

Isomeric SMILES

CCC(C)(C)NS(=O)(=O)C1=C(N(N=C1C)CCC(=O)O)C

InChI

InChI=1S/C13H23N3O4S/c1-6-13(4,5)15-21(19,20)12-9(2)14-16(10(12)3)8-7-11(17)18/h15H,6-8H2,1-5H3,(H,17,18)