4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazine-1-sulfonic acid
[CAS# 87925-15-3]

Identification

• Name: 4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazine-1-sulfonic acid
• Synonyms: 4-(5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl-1-piperazinesulfonic acid
• Molecular Formula: C₁₃H₁₄ClN₃O₅S₂
• Molecular Weight: 391.85
• CAS Registry Number: 87925-15-3
• SMILES: OS(=O)(=O)N1CCN(CC1)C(=O)CN2c3cc(Cl)ccc3SC2=O
• InChI: 1S/C13H14ClN3O5S2/c14-9-1-2-11-10(7-9)17(13(19)23-11)8-12(18)15-3-5-16(6-4-15)24(20,21)22/h1-2,7H,3-6,8H2,(H,20,21,22)
• InChIKey: CGFIUCJGAQTEBI-UHFFFAOYSA-N

Properties

• Density: 1.763g/cm³ (Cal.)