ethyl 5-cyano-6-[4-[(2,5-dimethylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(2,5-dimethylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2,5-dimethylphenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(2,5-dimethylphenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2,5-dimethylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(2,5-dimethylbenzyl)sulfonylcarbamoyl]piperidino]-2-methyl-nicotinic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C25H30N4O5S/c1-5-34-25(31)22-13-20(14-26)23(27-18(22)4)29-10-8-19(9-11-29)24(30)28-35(32,33)15-21-12-16(2)6-7-17(21)3/h6-7,12-13,19H,5,8-11,15H2,1-4H3,(H,28,30)