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

Systemtic Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[methyl(p-tolylsulfonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[methyl(tosyl)amino]pyrazole-4-carboxylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-9-4-6-10(7-5-9)21(19,20)16(3)12-11(13(17)18)8-14-15(12)2/h4-8H,1-3H3,(H,17,18)