N-(4-Chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}dodecanamide
[CAS# 87001-12-5]

Identification

• Name: N-(4-Chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}dodecanamide
• Synonyms: N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulphonyl)phenoxy)dodecanamide; N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide
• Molecular Formula: C₃₉H₄₀Cl₄N₄O₆S
• Molecular Weight: 834.64
• CAS Registry Number: 87001-12-5
• EINECS: 289-293-6
• SMILES: O=S(=O)(c1ccc(O)cc1)c5ccc(OC(C(=O)Nc2cc(c(Cl)cc2)N/C4=N/N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C4)CCCCCCCCCC)cc5
• InChI: 1S/C39H40Cl4N4O6S/c1-2-3-4-5-6-7-8-9-10-35(53-28-14-18-30(19-15-28)54(51,52)29-16-12-27(48)13-17-29)39(50)44-26-11-20-31(41)34(23-26)45-36-24-37(49)47(46-36)38-32(42)21-25(40)22-33(38)43/h11-23,35,48H,2-10,24H2,1H3,(H,44,50)(H,45,46)
• InChIKey: JTVOJWAROXFHTH-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)