N-[3,5-bis(fluoranyl)phenyl]-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-difluorophenyl)-2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(3,5-difluorophenyl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-difluorophenyl)-2-[(4-methyl-6-piperidinosulfonyl-2-quinolyl)thio]acetamide Formula: C23H23F2N3O3S2 MolecularWeight: 491.573826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=CC(=CC(=C4)F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C23H23F2N3O3S2/c1-15-9-23(32-14-22(29)26-18-11-16(24)10-17(25)12-18)27-21-6-5-19(13-20(15)21)33(30,31)28-7-3-2-4-8-28/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,26,29)