1-methyl-5-[(phenylmethyl)sulfonylamino]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[(phenylmethyl)sulfonylamino]pyrazole-4-carboxylic acid Openeye Name: 5-(benzylsulfonylamino)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[(phenylmethyl)sulfonylamino]-4-pyrazolecarboxylic acid IUPAC Name: 5-(benzylsulfonylamino)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(benzylsulfonylamino)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O4S/c1-15-11(10(7-13-15)12(16)17)14-20(18,19)8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3,(H,16,17)