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

Systemtic Name: ethyl 5-cyano-2-(hydroxymethyl)-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(hydroxymethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(hydroxymethyl)-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-(hydroxymethyl)pyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylol-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)CC3=CC=CC=C3)CO

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H22N4O6S/c1-2-31-21(28)17-8-15(9-22)19(23-18(17)12-26)25-10-16(11-25)20(27)24-32(29,30)13-14-6-4-3-5-7-14/h3-8,16,26H,2,10-13H2,1H3,(H,24,27)