2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-N-(2-fluorophenyl)acetamide Formula: C24H26FN3O3S2 MolecularWeight: 487.609943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H26FN3O3S2/c1-17-14-24(32-16-23(29)26-22-9-5-4-8-20(22)25)27-21-11-10-18(15-19(17)21)33(30,31)28-12-6-2-3-7-13-28/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,26,29)