propan-2-yl 5-cyano-6-[3-[(3-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-6-[3-[(3-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-6-[3-[(3-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(3-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-6-[3-[(3-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(3-fluorobenzyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid isopropyl ester Formula: C22H23FN4O5S MolecularWeight: 474.505223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC(=CC=C3)F)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC(=CC=C3)F)C#N)C(=O)OC(C)C

InChI

InChI=1S/C22H23FN4O5S/c1-13(2)32-22(29)19-8-16(9-24)20(25-14(19)3)27-10-17(11-27)21(28)26-33(30,31)12-15-5-4-6-18(23)7-15/h4-8,13,17H,10-12H2,1-3H3,(H,26,28)