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

Systemtic Name: propan-2-yl 5-cyano-6-[4-[(4-cyanophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-6-[4-[(4-cyanophenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(4-cyanophenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-methyl-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-6-[4-[(4-cyanophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(4-cyanobenzyl)sulfonylcarbamoyl]piperidino]-2-methyl-nicotinic acid isopropyl ester Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)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)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C#N)C#N)C(=O)OC(C)C

InChI

InChI=1S/C25H27N5O5S/c1-16(2)35-25(32)22-12-21(14-27)23(28-17(22)3)30-10-8-20(9-11-30)24(31)29-36(33,34)15-19-6-4-18(13-26)5-7-19/h4-7,12,16,20H,8-11,15H2,1-3H3,(H,29,31)