4-[4-[2-(2-Hydroxyethoxy)Ethylcarbamothioylamino]Phenoxy]-3-(2H-Pyrrol-1-Ium-1-Yl)-5-Sulfamoylbenzoic Acid
[CAS# 120750-70-1]

Identification

• Name: 4-[4-[2-(2-Hydroxyethoxy)Ethylcarbamothioylamino]Phenoxy]-3-(2H-Pyrrol-1-Ium-1-Yl)-5-Sulfamoylbenzoic Acid
• Synonyms: 4-[4-[2-(2-Hydroxyethoxy)Ethylcarbamothioylamino]Phenoxy]-3-(2H-Pyrrol-1-Ium-1-Yl)-5-Sulfamoyl-Benzoic Acid; 4-[4-[[[2-(2-Hydroxyethoxy)Ethylamino]-Thioxomethyl]Amino]Phenoxy]-3-(2H-Pyrrol-1-Ium-1-Yl)-5-Sulfamoylbenzoic Acid; 4-[4-[2-(2-Hydroxyethoxy)Ethylthiocarbamoylamino]Phenoxy]-3-(2H-Pyrrol-1-Ium-1-Yl)-5-Sulfamoyl-Benzoic Acid
• Molecular Formula: C₂₂H₂₅N₄O₇S₂
• Molecular Weight: 521.58
• CAS Registry Number: 120750-70-1
• SMILES: C2=C([S](=O)(=O)N)C(=C([N+]1=CC=CC1)C=C2C(=O)O)OC3=CC=C(NC(=S)NCCOCCO)C=C3
• InChI: 1S/C22H24N4O7S2/c23-35(30,31)19-14-15(21(28)29)13-18(26-8-1-2-9-26)20(19)33-17-5-3-16(4-6-17)25-22(34)24-7-11-32-12-10-27/h1-6,8,13-14,27H,7,9-12H2,(H4-,23,24,25,28,29,30,31,34)/p+1
• InChIKey: NROHLPMZALSKLU-UHFFFAOYSA-O