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

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-difluorophenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,6-difluorophenyl)-2-[[4-methyl-6-(4-morpholinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2,6-difluorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-difluorophenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)thio]acetamide Formula: C22H21F2N3O4S2 MolecularWeight: 493.546646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)SCC(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)SCC(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C22H21F2N3O4S2/c1-14-11-21(32-13-20(28)26-22-17(23)3-2-4-18(22)24)25-19-6-5-15(12-16(14)19)33(29,30)27-7-9-31-10-8-27/h2-6,11-12H,7-10,13H2,1H3,(H,26,28)