1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone Openeye Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone CAS Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-(4-mesyl-1,4-diazepan-1-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c1-31(28,29)25-13-7-12-24(14-15-25)22(27)16-26-20-11-6-5-10-19(20)23-21(26)17-30-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3