2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H21F3N4O3S2/c1-14-10-18(21(22,23)24)17(12-25)20(26-14)32-13-19(29)27-15-6-5-7-16(11-15)33(30,31)28-8-3-2-4-9-28/h5-7,10-11H,2-4,8-9,13H2,1H3,(H,27,29)