O3-ethyl O5-methyl 5-methyl-1-(phenylsulfonylcarbamoyl)-4H-pyrazole-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 5-methyl-1-(phenylsulfonylcarbamoyl)-4H-pyrazole-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 1-(benzenesulfonylcarbamoyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate CAS Name: 1-[benzenesulfonamido(oxo)methyl]-5-methyl-4H-pyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 1-(benzenesulfonylcarbamoyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate Traditional Name: 1-(besylcarbamoyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C)C(=O)OC)C(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C)C(=O)OC)C(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O7S/c1-4-26-13(20)12-10-16(2,14(21)25-3)19(17-12)15(22)18-27(23,24)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,18,22)