ethyl 1-(phenylsulfonyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylsulfonyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)pyrazole-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)pyrazole-4-carboxylate Traditional Name: 1-besylpyrazole-4-carboxylic acid ethyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O4S/c1-2-18-12(15)10-8-13-14(9-10)19(16,17)11-6-4-3-5-7-11/h3-9H,2H2,1H3