2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]ethanoate

Systemtic Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]ethanoate Openeye Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl]acetate CAS Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-1-pyrazolyl]acetate IUPAC Name: 2-[3-(4-methylsulfonylphenyl)-4-phenylpyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-phenyl-pyrazol-1-yl]acetate Formula: C18H15N2O4S- MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-25(23,24)15-9-7-14(8-10-15)18-16(13-5-3-2-4-6-13)11-20(19-18)12-17(21)22/h2-11H,12H2,1H3,(H,21,22)/p-1