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

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-difluorophenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,6-difluorophenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2,6-difluorophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-difluorophenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]acetamide Formula: C22H21F2N3O3S2 MolecularWeight: 477.547246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C22H21F2N3O3S2/c1-14-11-21(31-13-20(28)26-22-17(23)5-4-6-18(22)24)25-19-8-7-15(12-16(14)19)32(29,30)27-9-2-3-10-27/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,26,28)