ethyl 6-[3-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methoxy-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methoxy-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(4-chloro-2-fluoro-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methoxy-pyridine-3-carboxylate CAS Name: 6-[3-[[(4-chloro-2-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-5-cyano-2-methoxy-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-chloro-2-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methoxypyridine-3-carboxylate Traditional Name: 6-[3-[(4-chloro-2-fluoro-benzyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methoxy-nicotinic acid ethyl ester Formula: C21H20ClFN4O6S MolecularWeight: 510.923103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)Cl)F)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)Cl)F)OC

InChI

InChI=1S/C21H20ClFN4O6S/c1-3-33-21(29)16-6-13(8-24)18(25-20(16)32-2)27-9-14(10-27)19(28)26-34(30,31)11-12-4-5-15(22)7-17(12)23/h4-7,14H,3,9-11H2,1-2H3,(H,26,28)