2-[(1-methylpyrazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(1-methylpyrazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(1-methylpyrazole-4-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(1-methylpyrazole-4-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[(1-methylpyrazole-4-carbonyl)amino]butyric acid Formula: C10H15N3O5S MolecularWeight: 289.3082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C10H15N3O5S/c1-13-6-7(5-11-13)9(14)12-8(10(15)16)3-4-19(2,17)18/h5-6,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)