(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(p-tolylsulfonylmethyl)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 3-(tosylmethyl)benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C22H18ClFO4S MolecularWeight: 432.892323

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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=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H18ClFO4S/c1-15-8-10-18(11-9-15)29(26,27)14-16-4-2-5-17(12-16)22(25)28-13-19-20(23)6-3-7-21(19)24/h2-12H,13-14H2,1H3