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

Systemtic Name: [4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-(4-methoxyphenyl)pyrazol-1-yl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-5-20(24)28-23-14-19(15-6-10-17(27-2)11-7-15)21(22-23)16-8-12-18(13-9-16)29(3,25)26/h6-14H,4-5H2,1-3H3