Sodium 2-[[4-[3-(4-Chlorophenyl)-4,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl]Sulphonyl]Ethanesulphonate
[CAS# 27441-70-9]

Identification

• Name: Sodium 2-[[4-[3-(4-Chlorophenyl)-4,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl]Sulphonyl]Ethanesulphonate
• Synonyms: Sodium 2-((4-(3-(4-Chlorophenyl)-4,5-Dihydro-1H-Pyrazol-1-Yl)Phenyl)Sulphonyl)Ethanesulphonate; Ethanesulfonic Acid, 2-((4-(3-(4-Chlorophenyl)-4,5-Dihydro-1H-Pyrazol-1-Yl)Phenyl)Sulfonyl)-, Sodium Salt
• Molecular Formula: C₁₇H₁₆ClN₂NaO₅S₂
• Molecular Weight: 450.89
• CAS Registry Number: 27441-70-9
• EINECS: 248-460-3
• SMILES: C1=C([S](=O)(=O)CC[S]([O-])(=O)=O)C=CC(=C1)N3N=C(C2=CC=C(Cl)C=C2)CC3.[Na+]
• InChI: 1S/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1
• InChIKey: CUKVLWAEAKAWHX-UHFFFAOYSA-M