4-[2-[[4-Chloro-3-[(4,4-Dimethyl-1,3-Dioxopentyl)Amino]Phenyl]Amino]-1-Ethyl-2-Oxoethoxy]-2-Pentadecylbenzenesulfonic Acid Sodium Salt
[CAS# 63149-23-5]

Identification

• Name: 4-[2-[[4-Chloro-3-[(4,4-Dimethyl-1,3-Dioxopentyl)Amino]Phenyl]Amino]-1-Ethyl-2-Oxoethoxy]-2-Pentadecylbenzenesulfonic Acid Sodium Salt
• Synonyms: Sodium 4-[2-[[2-Chloro-5-[(4,4-Dimethyl-3-Oxo-Pentanoyl)Amino]Phenyl]Amino]Butanoyloxy]-2-Pentadecyl-Benzenesulfonate; Sodium 4-[2-[[2-Chloro-5-[(4,4-Dimethyl-1,3-Dioxopentyl)Amino]Phenyl]Amino]-1-Oxobutoxy]-2-Pentadecylbenzenesulfonate; Sodium 4-[2-[[2-Chloro-5-[(3-Keto-4,4-Dimethyl-Pentanoyl)Amino]Phenyl]Amino]Butanoyloxy]-2-Pentadecyl-Benzenesulfonate
• Molecular Formula: C₃₈H₅₆ClN₂NaO₇S
• Molecular Weight: 743.37
• CAS Registry Number: 63149-23-5
• SMILES: C2=C(OC(=O)C(NC1=C(Cl)C=CC(=C1)NC(=O)CC(=O)C(C)(C)C)CC)C=CC(=C2CCCCCCCCCCCCCCC)[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C38H57ClN2O7S.Na/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-28-25-30(22-24-34(28)49(45,46)47)48-37(44)32(7-2)41-33-26-29(21-23-31(33)39)40-36(43)27-35(42)38(3,4)5;/h21-26,32,41H,6-20,27H2,1-5H3,(H,40,43)(H,45,46,47);/q;+1/p-1
• InChIKey: PGBXVYDSICJIMW-UHFFFAOYSA-M