[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Openeye Name: [3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-(p-tolyl)pyrazol-1-yl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-4-5-20(24)27-23-14-19(16-8-6-15(2)7-9-16)21(22-23)17-10-12-18(13-11-17)28(3,25)26/h6-14H,4-5H2,1-3H3