N-(1-Butylpyridin-5-Yl)-4-[[(E)-3-[4-[[4-[(1-Butylpyridin-5-Yl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Prop-2-Enoyl]Amino]Benzamide 4-Methylbenzenesulfonate
[CAS# 19060-45-8]

Identification

• Name: N-(1-Butylpyridin-5-Yl)-4-[[(E)-3-[4-[[4-[(1-Butylpyridin-5-Yl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Prop-2-Enoyl]Amino]Benzamide 4-Methylbenzenesulfonate
• Synonyms: N-(1-Butylpyridin-1-Ium-3-Yl)-4-[[4-[(E)-3-[[4-[(1-Butylpyridin-1-Ium-3-Yl)Carbamoyl]Phenyl]Amino]-3-Oxo-Prop-1-Enyl]Benzoyl]Amino]Benzamide; 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonate; N-(1-Butyl-3-Pyridin-1-Iumyl)-4-[[[4-[(E)-3-[[4-[[(1-Butyl-3-Pyridin-1-Iumyl)Amino]-Oxomethyl]Phenyl]Amino]-3-Oxoprop-1-Enyl]Phenyl]-Oxomethyl]Amino]Benzamide; 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonate
• Molecular Formula: C₅₆H₅₈N₆O₁₀S₂
• Molecular Weight: 1039.23
• CAS Registry Number: 19060-45-8
• 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)CCCC)C=C6)C=C7)CCC
• InChI: 1S/C42H42N6O4.2C7H8O3S/c1-3-5-25-47-27-7-9-37(29-47)45-41(51)33-16-20-35(21-17-33)43-39(49)24-13-31-11-14-32(15-12-31)40(50)44-36-22-18-34(19-23-36)42(52)46-38-10-8-28-48(30-38)26-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-24,27-30H,3-6,25-26H2,1-2H3,(H2-2,43,44,45,46,49,50,51,52);2*2-5H,1H3,(H,8,9,10)/b24-13+
• InChIKey: DUYVKDGDVWGLGU-QWCQITGJSA-N