3-[4-(8-Methylsulfonyl-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Yl)-1-Oxidopiperazin-1-Ium-1-Yl]Propan-1-Ol
[CAS# 74667-82-6]

Identification

• Name: 3-[4-(8-Methylsulfonyl-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Yl)-1-Oxidopiperazin-1-Ium-1-Yl]Propan-1-Ol
• Synonyms: 3-[4-(8-Methylsulfonyl-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Oxido-Piperazin-1-Ium-1-Yl]Propan-1-Ol; 3-[4-(8-Methylsulfonyl-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Oxido-1-Piperazin-1-Iumyl]Propan-1-Ol; 3-[4-(8-Mesyl-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Oxido-Piperazin-1-Ium-1-Yl]Propan-1-Ol
• Molecular Formula: C₂₂H₂₈N₂O₄S₂
• Molecular Weight: 448.59
• CAS Registry Number: 74667-82-6
• SMILES: C4=C3C(N1CC[N+]([O-])(CC1)CCCO)CC2=CC=CC=C2SC3=CC=C4[S](=O)(=O)C
• InChI: 1S/C22H28N2O4S2/c1-30(27,28)18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)29-22)23-9-12-24(26,13-10-23)11-4-14-25/h2-3,5-8,16,20,25H,4,9-15H2,1H3
• InChIKey: INGAJZASMHHHIH-UHFFFAOYSA-N