3-(2,5-Diethylpyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
[CAS# 76557-33-0]

Identification

• Name: 3-(2,5-Diethylpyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
• Synonyms: 3-(2,5-Diethylpyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(3-Thienylmethylamino)Benzoic Acid; 3-[(2,5-Diethyl-1-Pyrrolyl)Sulfonyl]-4-(Phenoxy)-5-(3-Thienylmethylamino)Benzoic Acid; 3-((2,5-Diethyl-1H-Pyrrol-1-Yl)Sulfonyl)-4-Phenoxy-5-((3-Thienylmethyl)Amino)Benzoic Acid
• Molecular Formula: C₂₆H₂₆N₂O₅S₂
• Molecular Weight: 510.62
• CAS Registry Number: 76557-33-0
• SMILES: C1=C(C(=C(C=C1C(=O)O)NCC2=CSC=C2)OC3=CC=CC=C3)[S](=O)(=O)[N]4C(=CC=C4CC)CC
• InChI: 1S/C26H26N2O5S2/c1-3-20-10-11-21(4-2)28(20)35(31,32)24-15-19(26(29)30)14-23(27-16-18-12-13-34-17-18)25(24)33-22-8-6-5-7-9-22/h5-15,17,27H,3-4,16H2,1-2H3,(H,29,30)
• InChIKey: VTFGMWMCEMSBNQ-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 690.92°C at 760 mmHg (Cal.)
• Flash point: 371.655°C (Cal.)