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

Systemtic Name: ethyl 5-cyano-2-(dimethylaminomethyl)-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(dimethylaminomethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(dimethylaminomethyl)-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-(dimethylaminomethyl)pyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(dimethylaminomethyl)nicotinic acid ethyl ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-4-33-23(30)19-10-17(11-24)21(25-20(19)14-27(2)3)28-12-18(13-28)22(29)26-34(31,32)15-16-8-6-5-7-9-16/h5-10,18H,4,12-15H2,1-3H3,(H,26,29)