2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-[methyl(2-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)S(=O)(=O)C1=C(N(N=C1C)CC(=O)O)C

Isomeric SMILES

CCC(C)CN(C)S(=O)(=O)C1=C(N(N=C1C)CC(=O)O)C

InChI

InChI=1S/C13H23N3O4S/c1-6-9(2)7-15(5)21(19,20)13-10(3)14-16(11(13)4)8-12(17)18/h9H,6-8H2,1-5H3,(H,17,18)