6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline

Systemtic Name: 6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline Openeye Name: 6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline CAS Name: 6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]-1-piperazinyl]methyl]quinoxaline IUPAC Name: 6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline Traditional Name: 6-[[4-[2-(4-mesylphenyl)-1H-benzimidazol-4-yl]piperazino]methyl]quinoxaline Formula: C27H26N6O2S MolecularWeight: 498.59934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C27H26N6O2S/c1-36(34,35)21-8-6-20(7-9-21)27-30-23-3-2-4-25(26(23)31-27)33-15-13-32(14-16-33)18-19-5-10-22-24(17-19)29-12-11-28-22/h2-12,17H,13-16,18H2,1H3,(H,30,31)