S-ethyl 5-cyano-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carbothioate

Systemtic Name: S-ethyl 5-cyano-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carbothioate Openeye Name: S-ethyl 5-cyano-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-methyl-pyridine-3-carbothioate CAS Name: 5-cyano-6-[4-[[(4-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-methyl-3-pyridinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 5-cyano-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carbothioate Traditional Name: 5-cyano-6-[4-[(4-fluorobenzyl)sulfonylcarbamoyl]piperidino]-2-methyl-pyridine-3-carbothioic acid S-ethyl ester Formula: C23H25FN4O4S2 MolecularWeight: 504.597403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O4S2/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29)