2-[3-[1-[4-[(Acetamido)Sulphonyl]Butyl]-5,6-Dichloro-3-Ethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-5-Phenylbenzoxazolium Bromide
[CAS# 53014-11-2]

Identification

• Name: 2-[3-[1-[4-[(Acetamido)Sulphonyl]Butyl]-5,6-Dichloro-3-Ethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-5-Phenylbenzoxazolium Bromide
• Synonyms: N-[4-[(2E)-5,6-Dichloro-3-Ethyl-2-[(E)-3-(3-Ethyl-5-Phenyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]-1-Benzimidazolyl]Butylsulfonyl]Acetamide Bromide; N-[4-[(2E)-5,6-Dichloro-3-Ethyl-2-[(E)-3-(3-Ethyl-5-Phenyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]Benzimidazol-1-Yl]Butylsulfonyl]Ethanamide Bromide; 2-(3-(1-(4-((Acetamido)Sulphonyl)Butyl)-5,6-Dichloro-3-Ethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene)Prop-1-Enyl)-3-Ethyl-5-Phenylbenzoxazolium Bromide
• Molecular Formula: C₃₃H₃₇BrCl₂N₄O₄S
• Molecular Weight: 736.55
• CAS Registry Number: 53014-11-2
• EINECS: 258-293-8
• SMILES: [OH+]1C(N(C2=C1C=CC(=C2)C3=CC=CC=C3)CC)/C=C/C=C5/N(CCCC[S](=O)(=O)NC(=O)C)C4=CC(=C(Cl)C=C4N5CC)Cl.[Br-]
• InChI: 1S/C33H36Cl2N4O4S.BrH/c1-4-37-28-21-26(34)27(35)22-29(28)39(18-9-10-19-44(41,42)36-23(3)40)32(37)14-11-15-33-38(5-2)30-20-25(16-17-31(30)43-33)24-12-7-6-8-13-24;/h6-8,11-17,20-22,33H,4-5,9-10,18-19H2,1-3H3,(H,36,40);1H/b15-11+,32-14+
• InChIKey: KNQANVZCECGPCG-HUMMDTQKSA-N