2-methylsulfonyl-1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-methylsulfonyl-1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfonyl-ethanone CAS Name: 2-methylsulfonyl-1-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfonylethanone Traditional Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-mesyl-ethanone Formula: C19H26N4O3S MolecularWeight: 390.49974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)N1CCCN(CC1)CC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC(=O)N1CCCN(CC1)CC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O3S/c1-27(25,26)16-19(24)22-10-5-9-21(12-13-22)15-18-20-8-11-23(18)14-17-6-3-2-4-7-17/h2-4,6-8,11H,5,9-10,12-16H2,1H3