3-[4-(2-Cyanoethyl)-4,5-Dihydro-5-Oxo-3-[4-[(1-Oxooctadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 94944-75-9]

Identification

• Name: 3-[4-(2-Cyanoethyl)-4,5-Dihydro-5-Oxo-3-[4-[(1-Oxooctadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 3-[4-(2-Cyanoethyl)-5-Oxo-3-[4-(1-Oxooctadecylamino)Phenyl]-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 3-[4-(2-Cyanoethyl)-5-Keto-3-(4-Stearamidophenyl)-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₃₆H₅₀N₄O₅S
• Molecular Weight: 650.87
• CAS Registry Number: 94944-75-9
• EINECS: 305-653-8
• SMILES: C1=C([S](=O)(=O)O)C=CC=C1N2N=C(C(C2=O)CCC#N)C3=CC=C(NC(=O)CCCCCCCCCCCCCCCCC)C=C3
• InChI: 1S/C36H50N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-34(41)38-30-25-23-29(24-26-30)35-33(21-18-27-37)36(42)40(39-35)31-19-17-20-32(28-31)46(43,44)45/h17,19-20,23-26,28,33H,2-16,18,21-22H2,1H3,(H,38,41)(H,43,44,45)
• InChIKey: JLUMGSZBJQCCCD-UHFFFAOYSA-N