(2-acetamido-2-oxidanylidene-ethyl) 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-acetamido-2-oxidanylidene-ethyl) 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (2-acetamido-2-oxo-ethyl) 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (2-acetamido-2-oxoethyl) ester IUPAC Name: (2-acetamido-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (2-acetamido-2-keto-ethyl) ester Formula: C12H12ClNO6S MolecularWeight: 333.74478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H12ClNO6S/c1-7(15)14-11(16)6-20-12(17)9-5-8(21(2,18)19)3-4-10(9)13/h3-5H,6H2,1-2H3,(H,14,15,16)