N-(1-Ethylpyridin-5-Yl)-4-[[(E)-3-[4-[[4-[(1-Ethylpyridin-5-Yl)CarbamoYl]Phenyl]Carbamoyl]Phenyl]Prop-2-Enoyl]Amino]Benzamide 4-Methylbenzenesulfonate
[CAS# 19060-43-6]

Identification

• Name: N-(1-Ethylpyridin-5-Yl)-4-[[(E)-3-[4-[[4-[(1-Ethylpyridin-5-Yl)CarbamoYl]Phenyl]Carbamoyl]Phenyl]Prop-2-Enoyl]Amino]Benzamide 4-Methylbenzenesulfonate
• Synonyms: N-(1-Ethylpyridin-1-Ium-3-Yl)-4-[[4-[(E)-3-[[4-[(1-Ethylpyridin-1-Ium-3-Yl)Carbamoyl]Phenyl]Amino]-3-Oxo-Prop-1-Enyl]Benzoyl]Amino]Benzamide; 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonate; N-(1-Ethyl-3-Pyridin-1-Iumyl)-4-[[[4-[(E)-3-[[4-[[(1-Ethyl-3-Pyridin-1-Iumyl)Amino]-Oxomethyl]Phenyl]Amino]-3-Oxoprop-1-Enyl]Phenyl]-Oxomethyl]Amino]Benzamide; 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonate
• Molecular Formula: C₅₂H₅₀N₆O₁₀S₂
• Molecular Weight: 983.12
• CAS Registry Number: 19060-43-6
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C.C2=C([S]([O-])(=O)=O)C=CC(=C2)C.C([N+]3=CC(=CC=C3)NC(=O)C7=CC=C(NC(=O)C4=CC=C(C=C4)\C=C\C(=O)NC6=CC=C(C(=O)NC5=CC=C[N+](=C5)CC)C=C6)C=C7)C
• InChI: 1S/C38H34N6O4.2C7H8O3S/c1-3-43-23-5-7-33(25-43)41-37(47)29-14-18-31(19-15-29)39-35(45)22-11-27-9-12-28(13-10-27)36(46)40-32-20-16-30(17-21-32)38(48)42-34-8-6-24-44(4-2)26-34;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-26H,3-4H2,1-2H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,9,10)/b22-11+
• InChIKey: HSHAJOAXPVHFTK-QLVZFOIYSA-N