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

Systemtic Name: 2-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[methyl(sec-butyl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[butan-2-yl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-[methyl(sec-butyl)sulfamoyl]pyrazol-1-yl]acetic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4S/c1-6-8(2)14(5)20(18,19)12-9(3)13-15(10(12)4)7-11(16)17/h8H,6-7H2,1-5H3,(H,16,17)