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

Systemtic Name: ethyl 6-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(2-chloro-4-fluoro-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate CAS Name: 6-[3-[[(2-chloro-4-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-5-cyano-2-ethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(2-chloro-4-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-ethylpyridine-3-carboxylate Traditional Name: 6-[3-[(2-chloro-4-fluoro-benzyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-ethyl-nicotinic acid ethyl ester Formula: C22H22ClFN4O5S MolecularWeight: 508.950283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)F)Cl)C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)F)Cl)C#N)C(=O)OCC

InChI

InChI=1S/C22H22ClFN4O5S/c1-3-19-17(22(30)33-4-2)7-14(9-25)20(26-19)28-10-15(11-28)21(29)27-34(31,32)12-13-5-6-16(24)8-18(13)23/h5-8,15H,3-4,10-12H2,1-2H3,(H,27,29)