N-[2-Chloro-5-[(Hexadecylsulphonyl)Amino]Phenyl]-2-[4-[(4-Hydroxyphenyl)Sulphonyl]Phenoxy]-4,4-Dimethyl-3-Oxovaleramide
[CAS# 60247-61-2]

Identification

• Name: N-[2-Chloro-5-[(Hexadecylsulphonyl)Amino]Phenyl]-2-[4-[(4-Hydroxyphenyl)Sulphonyl]Phenoxy]-4,4-Dimethyl-3-Oxovaleramide
• Synonyms: N-[2-Chloro-5-(Hexadecylsulfonylamino)Phenyl]-2-[4-(4-Hydroxyphenyl)Sulfonylphenoxy]-4,4-Dimethyl-3-Oxo-Pentanamide; N-[5-(Cetylsulfonylamino)-2-Chloro-Phenyl]-2-[4-(4-Hydroxyphenyl)Sulfonylphenoxy]-3-Keto-4,4-Dimethyl-Valeramide
• Molecular Formula: C₄₁H₅₇ClN₂O₈S₂
• Molecular Weight: 805.48
• CAS Registry Number: 60247-61-2
• EINECS: 262-122-2
• SMILES: C1=CC(=CC=C1[S](=O)(=O)C2=CC=C(C=C2)OC(C(=O)NC3=C(C=CC(=C3)N[S](=O)(=O)CCCCCCCCCCCCCCCC)Cl)C(=O)C(C)(C)C)O
• InChI: 1S/C41H57ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-53(48,49)44-31-19-28-36(42)37(30-31)43-40(47)38(39(46)41(2,3)4)52-33-22-26-35(27-23-33)54(50,51)34-24-20-32(45)21-25-34/h19-28,30,38,44-45H,5-18,29H2,1-4H3,(H,43,47)
• InChIKey: KNWWADFQECPVGP-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)