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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FO4S/c23-21-8-4-7-19(13-21)14-27-22(24)20-11-9-18(10-12-20)16-28(25,26)15-17-5-2-1-3-6-17/h1-13H,14-16H2