propan-2-yl 5-cyano-2-methyl-6-[3-[(phenylmethyl)sulfonylcarbamoylamino]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2-methyl-6-[3-[(phenylmethyl)sulfonylcarbamoylamino]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 6-[3-(benzylsulfonylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[oxo-[(phenylmethyl)sulfonylamino]methyl]amino]-1-azetidinyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(benzylsulfonylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid isopropyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CC(C2)NC(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CC(C2)NC(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OC(C)C

InChI

InChI=1S/C22H25N5O5S/c1-14(2)32-21(28)19-9-17(10-23)20(24-15(19)3)27-11-18(12-27)25-22(29)26-33(30,31)13-16-7-5-4-6-8-16/h4-9,14,18H,11-13H2,1-3H3,(H2,25,26,29)