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

Systemtic Name: ethyl 2-(azidomethyl)-5-cyano-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-(azidomethyl)-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-pyridine-3-carboxylate CAS Name: 2-(azidomethyl)-5-cyano-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(azidomethyl)-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyanopyridine-3-carboxylate Traditional Name: 2-(azidomethyl)-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-nicotinic acid ethyl ester Formula: C21H21N7O5S MolecularWeight: 483.50034

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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)CN=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CN=[N+]=[N-]

InChI

InChI=1S/C21H21N7O5S/c1-2-33-21(30)17-8-15(9-22)19(25-18(17)10-24-27-23)28-11-16(12-28)20(29)26-34(31,32)13-14-6-4-3-5-7-14/h3-8,16H,2,10-13H2,1H3,(H,26,29)