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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(2-methylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-(o-tolylmethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[(2-methylphenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(2-methylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[(2-methylbenzyl)sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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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=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3C)C

InChI

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