propan-2-yl 5-cyano-6-[4-(oxan-4-ylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-6-[4-(oxan-4-ylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]-6-[4-(tetrahydropyran-4-ylmethylsulfonylcarbamoyl)-1-piperidyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(4-oxanylmethylsulfonylamino)-oxomethyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-6-[4-(oxan-4-ylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-ketopyrrolidino)methyl]-6-[4-(tetrahydropyran-4-ylmethylsulfonylcarbamoyl)piperidino]nicotinic acid isopropyl ester Formula: C27H37N5O7S MolecularWeight: 575.67698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCOCC3)CN4CCCC4=O

Isomeric SMILES

CC(C)OC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCOCC3)CN4CCCC4=O

InChI

InChI=1S/C27H37N5O7S/c1-18(2)39-27(35)22-14-21(15-28)25(29-23(22)16-32-9-3-4-24(32)33)31-10-5-20(6-11-31)26(34)30-40(36,37)17-19-7-12-38-13-8-19/h14,18-20H,3-13,16-17H2,1-2H3,(H,30,34)