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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-N-phenyl-acetamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S2/c1-18-15-24(31-17-23(28)25-19-9-5-4-6-10-19)26-22-12-11-20(16-21(18)22)32(29,30)27-13-7-2-3-8-14-27/h4-6,9-12,15-16H,2-3,7-8,13-14,17H2,1H3,(H,25,28)