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

Systemtic Name: (4-bromophenyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (4-bromophenyl) 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid (4-bromophenyl) ester Formula: C21H17BrO4S MolecularWeight: 445.32628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrO4S/c1-15-2-12-20(13-3-15)27(24,25)14-16-4-6-17(7-5-16)21(23)26-19-10-8-18(22)9-11-19/h2-13H,14H2,1H3