(3-cyano-4,6-dimethyl-pyridin-2-yl) 2-chloranyl-4-methylsulfonyl-benzoate

Systemtic Name: (3-cyano-4,6-dimethyl-pyridin-2-yl) 2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: (3-cyano-4,6-dimethyl-2-pyridyl) 2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonylbenzoic acid (3-cyano-4,6-dimethyl-2-pyridinyl) ester IUPAC Name: (3-cyano-4,6-dimethylpyridin-2-yl) 2-chloro-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-benzoic acid (3-cyano-4,6-dimethyl-2-pyridyl) ester Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C16H13ClN2O4S/c1-9-6-10(2)19-15(13(9)8-18)23-16(20)12-5-4-11(7-14(12)17)24(3,21)22/h4-7H,1-3H3