ethyl 5-cyano-6-[3-[(4-ethylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[3-[(4-ethylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(4-ethylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(4-ethylphenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(4-ethylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(4-ethylbenzyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CS(=O)(=O)NC(=O)C2CN(C2)C3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CS(=O)(=O)NC(=O)C2CN(C2)C3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C23H26N4O5S/c1-4-16-6-8-17(9-7-16)14-33(30,31)26-22(28)19-12-27(13-19)21-18(11-24)10-20(15(3)25-21)23(29)32-5-2/h6-10,19H,4-5,12-14H2,1-3H3,(H,26,28)