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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=C(C=CC=C4F)F

InChI

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