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

Systemtic Name: tert-butyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: tert-butyl 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(5-chloro-2-thiophenyl)sulfonylamino]-oxomethyl]-1-piperidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperidino]-5-cyano-2-methyl-nicotinic acid tert-butyl ester Formula: C22H25ClN4O5S2 MolecularWeight: 525.0407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25ClN4O5S2/c1-13-16(21(29)32-22(2,3)4)11-15(12-24)19(25-13)27-9-7-14(8-10-27)20(28)26-34(30,31)18-6-5-17(23)33-18/h5-6,11,14H,7-10H2,1-4H3,(H,26,28)