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

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C18H26N4O2S MolecularWeight: 362.48964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H26N4O2S/c1-20-11-8-19-18(20)15-22-10-3-9-21(12-13-22)14-16-4-6-17(7-5-16)25(2,23)24/h4-8,11H,3,9-10,12-15H2,1-2H3