N-[2-Chloro-5-[(Hexadecylsulphonyl)Amino]Phenyl]-4,4-Dimethyl-3-Oxo-2-[4-[[4-(Phenylmethoxy)Phenyl]Sulphonyl]Phenoxy]Valeramide
[CAS# 56912-29-9]

Identification

• Name: N-[2-Chloro-5-[(Hexadecylsulphonyl)Amino]Phenyl]-4,4-Dimethyl-3-Oxo-2-[4-[[4-(Phenylmethoxy)Phenyl]Sulphonyl]Phenoxy]Valeramide
• Synonyms: 2-[4-[4-(Benzyloxy)Phenyl]Sulfonylphenoxy]-N-[5-(Cetylsulfonylamino)-2-Chloro-Phenyl]-3-Keto-4,4-Dimethyl-Valeramide; N-(2-Chloro-5-((Hexadecylsulphonyl)Amino)Phenyl)-4,4-Dimethyl-3-Oxo-2-(4-((4-(Phenylmethoxy)Phenyl)Sulphonyl)Phenoxy)Valeramide
• Molecular Formula: C₄₈H₆₃ClN₂O₈S₂
• Molecular Weight: 895.61
• CAS Registry Number: 56912-29-9
• EINECS: 260-427-5
• SMILES: C1=CC(=CC=C1[S](=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(C(=O)NC4=C(C=CC(=C4)N[S](=O)(=O)CCCCCCCCCCCCCCCC)Cl)C(=O)C(C)(C)C
• InChI: 1S/C48H63ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-60(54,55)51-38-24-33-43(49)44(35-38)50-47(53)45(46(52)48(2,3)4)59-40-27-31-42(32-28-40)61(56,57)41-29-25-39(26-30-41)58-36-37-22-19-18-20-23-37/h18-20,22-33,35,45,51H,5-17,21,34,36H2,1-4H3,(H,50,53)
• InChIKey: WUJTWJZEQRSSPU-UHFFFAOYSA-N

Properties

• Density: 1.204g/cm³ (Cal.)