propan-2-yl 5-cyano-6-[3-[(4-cyanophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-6-[3-[(4-cyanophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-6-[3-[(4-cyanophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(4-cyanophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-6-[3-[(4-cyanophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(4-cyanobenzyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid isopropyl ester Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O5S/c1-14(2)33-23(30)20-8-18(10-25)21(26-15(20)3)28-11-19(12-28)22(29)27-34(31,32)13-17-6-4-16(9-24)5-7-17/h4-8,14,19H,11-13H2,1-3H3,(H,27,29)