5-[[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(1,1-dioxothiolan-3-yl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(1,1-dioxo-3-thiolanyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(1,1-dioxothiolan-3-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(1,1-diketothiolan-3-yl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C9H13N3O6S2 MolecularWeight: 323.34602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C9H13N3O6S2/c1-12-8(7(4-10-12)9(13)14)11-20(17,18)6-2-3-19(15,16)5-6/h4,6,11H,2-3,5H2,1H3,(H,13,14)