N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]acetamide Formula: C22H21ClFN3O3S2 MolecularWeight: 494.001843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O3S2/c1-14-10-22(31-13-21(28)25-15-4-6-19(24)18(23)11-15)26-20-7-5-16(12-17(14)20)32(29,30)27-8-2-3-9-27/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,25,28)