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

Systemtic Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(1-methyl-4-imidazolyl)sulfonyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane Formula: C17H24N4O4S2 MolecularWeight: 412.52686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H24N4O4S2/c1-19-13-17(18-14-19)27(24,25)21-9-3-8-20(10-11-21)12-15-4-6-16(7-5-15)26(2,22)23/h4-7,13-14H,3,8-12H2,1-2H3