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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4S/c1-5-11(6-2)15-21(19,20)13-9(3)14-16(10(13)4)8-7-12(17)18/h11,15H,5-8H2,1-4H3,(H,17,18)