4-[[3-[[2-(Sulfothio)Ethyl]Amino]Propyl]Amino]Benzoic Acid 1-Ethyl Ester
[CAS# 23563-78-2]

Identification

• Name: 4-[[3-[[2-(Sulfothio)Ethyl]Amino]Propyl]Amino]Benzoic Acid 1-Ethyl Ester
• Synonyms: 1-Ethoxycarbonyl-4-[3-[2-(Sulfothio)Ethylamino]Propylamino]Benzene; 1-Carbethoxy-4-[3-[2-(Sulfothio)Ethylamino]Propylamino]Benzene; Benzoic Acid, P-(3-((2-Mercaptoethyl)Amino)Propyl)Amino-, Ethyl Ester, S-Ester W
• Molecular Formula: C₁₄H₂₂N₂O₅S₂
• Molecular Weight: 362.46
• CAS Registry Number: 23563-78-2
• SMILES: C1=C(C=CC(=C1)NCCCNCCS[S](O)(=O)=O)C(OCC)=O
• InChI: 1S/C14H22N2O5S2/c1-2-21-14(17)12-4-6-13(7-5-12)16-9-3-8-15-10-11-22-23(18,19)20/h4-7,15-16H,2-3,8-11H2,1H3,(H,18,19,20)
• InChIKey: UAAJQWHHGULTSL-UHFFFAOYSA-N