methyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoate

Systemtic Name: methyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoate Openeye Name: methyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoate CAS Name: 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoate Traditional Name: 4-[5-(4-mesylphenyl)-1H-pyrazol-4-yl]benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(NN=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(NN=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O4S/c1-24-18(21)14-5-3-12(4-6-14)16-11-19-20-17(16)13-7-9-15(10-8-13)25(2,22)23/h3-11H,1-2H3,(H,19,20)