[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O5S/c1-17-8-10(7-15-17)14(19)22-9-13(18)16-11-3-5-12(6-4-11)23(2,20)21/h3-8H,9H2,1-2H3,(H,16,18)