N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-(2,2,2-trifluoroethylthio)nicotinamide Formula: C20H22F3N3O4S2 MolecularWeight: 489.53159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22F3N3O4S2/c1-30-16-8-7-14(12-17(16)32(28,29)26-10-3-2-4-11-26)25-18(27)15-6-5-9-24-19(15)31-13-20(21,22)23/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,27)