ethyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]-1-piperidyl]-5-cyano-2-ethyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(5-chloro-2-thiophenyl)sulfonylamino]-oxomethyl]-1-piperidinyl]-5-cyano-2-ethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-ethylpyridine-3-carboxylate Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperidino]-5-cyano-2-ethyl-nicotinic acid ethyl ester Formula: C21H23ClN4O5S2 MolecularWeight: 511.01412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C#N)C(=O)OCC

InChI

InChI=1S/C21H23ClN4O5S2/c1-3-16-15(21(28)31-4-2)11-14(12-23)19(24-16)26-9-7-13(8-10-26)20(27)25-33(29,30)18-6-5-17(22)32-18/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,25,27)