1-[(1-methylimidazol-2-yl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Traditional Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H28N4O2S/c1-24-14-11-23-22(24)18-25-12-5-13-26(16-15-25)29(27,28)17-10-20-8-4-7-19-6-2-3-9-21(19)20/h2-4,6-9,11,14H,5,10,12-13,15-18H2,1H3