2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-mesyl-butyric acid Formula: C11H17N3O5S MolecularWeight: 303.33478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H17N3O5S/c1-6-9(7(2)14-13-6)10(15)12-8(11(16)17)4-5-20(3,18)19/h8H,4-5H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)