(1-phenylpyrazol-4-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

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