2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-ethyl-1-benzimidazolyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-ethylbenzimidazol-1-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N4O3S/c1-3-22-24-20-7-4-5-8-21(20)27(22)17-23(28)25-13-6-14-26(16-15-25)31(29,30)19-11-9-18(2)10-12-19/h4-5,7-12H,3,6,13-17H2,1-2H3