2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-N-(3-fluorophenyl)acetamide Formula: C24H26FN3O3S2 MolecularWeight: 487.609943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C24H26FN3O3S2/c1-17-13-24(32-16-23(29)26-19-8-6-7-18(25)14-19)27-22-10-9-20(15-21(17)22)33(30,31)28-11-4-2-3-5-12-28/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,26,29)