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

Systemtic Name: 3-[3,5-dimethyl-4-(1-oxidanylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[1-(hydroxymethyl)propylsulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(1-hydroxybutan-2-ylsulfamoyl)-3,5-dimethyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(1-hydroxybutan-2-ylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-4-(1-methylolpropylsulfamoyl)pyrazol-1-yl]propionic acid Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O5S/c1-4-10(7-16)14-21(19,20)12-8(2)13-15(9(12)3)6-5-11(17)18/h10,14,16H,4-7H2,1-3H3,(H,17,18)