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

Systemtic Name: ethyl 5-cyano-6-[3-[(2-fluoranyl-5-methyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(2-fluoro-5-methyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(2-fluoro-5-methylphenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(2-fluoro-5-methylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(2-fluoro-5-methyl-benzyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C22H23FN4O5S MolecularWeight: 474.505223

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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=CC(=C3)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O5S/c1-4-32-22(29)18-8-15(9-24)20(25-14(18)3)27-10-17(11-27)21(28)26-33(30,31)12-16-7-13(2)5-6-19(16)23/h5-8,17H,4,10-12H2,1-3H3,(H,26,28)