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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[(1-oxido-2-pyridin-1-iumyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C20H21N5O6S MolecularWeight: 459.47564

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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=[N+]3[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C20H21N5O6S/c1-3-31-20(27)17-8-14(9-21)18(22-13(17)2)24-10-15(11-24)19(26)23-32(29,30)12-16-6-4-5-7-25(16)28/h4-8,15H,3,10-12H2,1-2H3,(H,23,26)