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

Systemtic Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]pyrazole-4-carboxylate Openeye Name: 1-methyl-5-[methyl(p-tolylsulfonyl)amino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[methyl(tosyl)amino]pyrazole-4-carboxylate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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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)/p-1