(4-pyrazol-1-ylphenyl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H18N2O4S/c1-26(23,24)14-16-4-2-5-17(12-16)19(22)25-13-15-6-8-18(9-7-15)21-11-3-10-20-21/h2-12H,13-14H2,1H3