ethyl 6-[4-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(4-chloro-2-fluoro-phenyl)methylsulfonylcarbamoyl]-1-piperidyl]-5-cyano-2-ethyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(4-chloro-2-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-5-cyano-2-ethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-chloro-2-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethylpyridine-3-carboxylate Traditional Name: 6-[4-[(4-chloro-2-fluoro-benzyl)sulfonylcarbamoyl]piperidino]-5-cyano-2-ethyl-nicotinic acid ethyl ester Formula: C24H26ClFN4O5S MolecularWeight: 537.003443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)Cl)F)C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=C(C=C(C=C3)Cl)F)C#N)C(=O)OCC

InChI

InChI=1S/C24H26ClFN4O5S/c1-3-21-19(24(32)35-4-2)11-17(13-27)22(28-21)30-9-7-15(8-10-30)23(31)29-36(33,34)14-16-5-6-18(25)12-20(16)26/h5-6,11-12,15H,3-4,7-10,14H2,1-2H3,(H,29,31)