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

Systemtic Name: (4-bromophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (4-bromophenyl)methyl 3-(p-tolylsulfonylmethyl)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 3-(tosylmethyl)benzoic acid (4-bromobenzyl) ester Formula: C22H19BrO4S MolecularWeight: 459.35286

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrO4S/c1-16-5-11-21(12-6-16)28(25,26)15-18-3-2-4-19(13-18)22(24)27-14-17-7-9-20(23)10-8-17/h2-13H,14-15H2,1H3