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

Systemtic Name: ethyl 5-cyano-6-[3-[(4-methoxyphenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(4-methoxyphenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(4-methoxyphenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(4-methoxyphenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(4-methoxyphenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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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)OC)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)OC)C

InChI

InChI=1S/C21H22N4O6S/c1-4-31-21(27)18-9-14(10-22)19(23-13(18)2)25-11-15(12-25)20(26)24-32(28,29)17-7-5-16(30-3)6-8-17/h5-9,15H,4,11-12H2,1-3H3,(H,24,26)