4-methylsulfonyl-2-(1H-pyrazol-4-ylcarbonylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(1H-pyrazol-4-ylcarbonylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo(1H-pyrazol-4-yl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid Traditional Name: 4-mesyl-2-(1H-pyrazole-4-carbonylamino)butyric acid Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CNN=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CNN=C1

InChI

InChI=1S/C9H13N3O5S/c1-18(16,17)3-2-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)