(4-pyrazol-1-ylphenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-pyrazol-1-ylbenzyl) 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=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

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