3-[4-(2-Cyanoethyl)-4,5-Dihydro-5-Oxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 94944-74-8]

Identification

• Name: 3-[4-(2-Cyanoethyl)-4,5-Dihydro-5-Oxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 3-[4-(2-Cyanoethyl)-5-Oxo-3-[4-(1-Oxohexadecylamino)Phenyl]-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 3-[4-(2-Cyanoethyl)-5-Keto-3-(4-Palmitamidophenyl)-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₃₄H₄₆N₄O₅S
• Molecular Weight: 622.82
• CAS Registry Number: 94944-74-8
• EINECS: 305-652-2
• SMILES: C1=C([S](=O)(=O)O)C=CC=C1N2N=C(C(C2=O)CCC#N)C3=CC=C(NC(=O)CCCCCCCCCCCCCCC)C=C3
• InChI: 1S/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,31H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)
• InChIKey: ADSVMOOPQPIGEI-UHFFFAOYSA-N