ethyl 5-cyano-2-ethyl-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-ethyl-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-ethylpyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-ethyl-nicotinic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-3-19-18(22(28)31-4-2)10-16(11-23)20(24-19)26-12-17(13-26)21(27)25-32(29,30)14-15-8-6-5-7-9-15/h5-10,17H,3-4,12-14H2,1-2H3,(H,25,27)