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

Systemtic Name: 1-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-(p-tolylsulfonylamino)pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[(4-methylphenyl)sulfonylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(tosylamino)pyrazole-4-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=NN2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-8-3-5-9(6-4-8)20(18,19)14-11-10(12(16)17)7-13-15(11)2/h3-7,14H,1-2H3,(H,16,17)