N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-benzimidazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(benzimidazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O3S/c1-17-10-11-18(14-21(17)30(28,29)26-12-6-2-3-7-13-26)24-22(27)15-25-16-23-19-8-4-5-9-20(19)25/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,24,27)