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

Systemtic Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-4-[methyl(sec-butyl)sulfamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-4-[methyl(sec-butyl)sulfamoyl]pyrazol-1-yl]propionic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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