[5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] pentanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] pentanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] pentanoate Traditional Name: valeric acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O4S/c1-4-5-11-20(25)28-22-21(29(26,27)19-14-12-16(2)13-15-19)17(3)23-24(22)18-9-7-6-8-10-18/h6-10,12-15H,4-5,11H2,1-3H3