(4-acetamidophenyl) 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (4-acetamidophenyl) 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (4-acetamidophenyl) 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (4-acetamidophenyl) ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C16H14ClNO5S/c1-10(19)18-12-4-6-13(7-5-12)23-16(20)11-3-8-14(17)15(9-11)24(2,21)22/h3-9H,1-2H3,(H,18,19)