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

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-difluorophenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3,5-difluorophenyl)-2-[[4-methyl-6-(4-morpholinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(3,5-difluorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-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=CC(=CC(=C4)F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)SCC(=O)NC4=CC(=CC(=C4)F)F

InChI

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