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

Systemtic Name: propan-2-yl 5-cyano-2-methyl-6-[3-(phenethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2-methyl-6-[3-(phenethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-(phenethylsulfonylamino)methyl]-1-azetidinyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-2-methyl-6-[3-(phenethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-(phenethylsulfonylcarbamoyl)azetidin-1-yl]nicotinic acid isopropyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CCC3=CC=CC=C3)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CCC3=CC=CC=C3)C#N)C(=O)OC(C)C

InChI

InChI=1S/C23H26N4O5S/c1-15(2)32-23(29)20-11-18(12-24)21(25-16(20)3)27-13-19(14-27)22(28)26-33(30,31)10-9-17-7-5-4-6-8-17/h4-8,11,15,19H,9-10,13-14H2,1-3H3,(H,26,28)