(3-fluorophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (3-fluorophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (3-fluorophenyl)methyl 3-(p-tolylsulfonylmethyl)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 3-(tosylmethyl)benzoic acid (3-fluorobenzyl) ester Formula: C22H19FO4S MolecularWeight: 398.447263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H19FO4S/c1-16-8-10-21(11-9-16)28(25,26)15-18-5-2-6-19(12-18)22(24)27-14-17-4-3-7-20(23)13-17/h2-13H,14-15H2,1H3