N-(4-fluorophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-fluorophenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]acetamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3S2/c1-15-12-22(30-14-21(27)24-17-6-4-16(23)5-7-17)25-20-9-8-18(13-19(15)20)31(28,29)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,27)