ethyl 5-cyano-2-methyl-6-[3-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C21H19F3N4O5S MolecularWeight: 496.45957

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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)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O5S/c1-3-33-20(30)17-8-13(9-25)18(26-12(17)2)28-10-14(11-28)19(29)27-34(31,32)16-6-4-15(5-7-16)21(22,23)24/h4-8,14H,3,10-11H2,1-2H3,(H,27,29)