ethyl 6-[3-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(5-bromo-6-chloro-3-pyridyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(5-bromo-6-chloropyridin-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[(5-bromo-6-chloro-3-pyridyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H17BrClN5O5S MolecularWeight: 542.79078

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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(N=C3)Cl)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CC(=C(N=C3)Cl)Br)C

InChI

InChI=1S/C19H17BrClN5O5S/c1-3-31-19(28)14-4-11(6-22)17(24-10(14)2)26-8-12(9-26)18(27)25-32(29,30)13-5-15(20)16(21)23-7-13/h4-5,7,12H,3,8-9H2,1-2H3,(H,25,27)