2-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-mesyl-butyric acid Formula: C12H19N3O5S MolecularWeight: 317.36136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC(CCS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC(CCS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C12H19N3O5S/c1-8-6-9(2)15(14-8)7-11(16)13-10(12(17)18)4-5-21(3,19)20/h6,10H,4-5,7H2,1-3H3,(H,13,16)(H,17,18)