1-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-(4-besyl-1,4-diazepan-1-yl)ethanone Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O3S/c1-12(16)14-8-5-9-15(11-10-14)19(17,18)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3