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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCCC(C)C

InChI

InChI=1S/C13H23N3O4S/c1-9(2)5-7-14-21(19,20)13-10(3)15-16(11(13)4)8-6-12(17)18/h9,14H,5-8H2,1-4H3,(H,17,18)