N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3-fluorophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3-fluorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-fluoro-N-mesyl-anilino)acetamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-31(29,30)26(18-10-8-9-17(23)15-18)16-21(27)24-20-12-5-4-11-19(20)22(28)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,27)