N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethylbenzimidazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-ethyl-1-benzimidazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O3S/c1-2-22-25-20-12-5-6-13-21(20)27(22)17-23(28)24-18-10-9-11-19(16-18)31(29,30)26-14-7-3-4-8-15-26/h5-6,9-13,16H,2-4,7-8,14-15,17H2,1H3,(H,24,28)