3-(2-Ethyl-5-Methylpyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
[CAS# 76557-35-2]

Identification

• Name: 3-(2-Ethyl-5-Methylpyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
• Synonyms: 3-(2-Ethyl-5-Methyl-Pyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(3-Thienylmethylamino)Benzoic Acid; 3-[(2-Ethyl-5-Methyl-1-Pyrrolyl)Sulfonyl]-4-(Phenoxy)-5-(3-Thienylmethylamino)Benzoic Acid; 3-(2-Ethyl-5-Methyl-Pyrrol-1-Yl)Sulfonyl-4-(Phenoxy)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
• Molecular Formula: C₂₅H₂₄N₂O₅S₂
• Molecular Weight: 496.60
• CAS Registry Number: 76557-35-2
• SMILES: C1=C(C(=C(C=C1C(=O)O)NCC2=CSC=C2)OC3=CC=CC=C3)[S](=O)(=O)[N]4C(=CC=C4C)CC
• InChI: 1S/C25H24N2O5S2/c1-3-20-10-9-17(2)27(20)34(30,31)23-14-19(25(28)29)13-22(26-15-18-11-12-33-16-18)24(23)32-21-7-5-4-6-8-21/h4-14,16,26H,3,15H2,1-2H3,(H,28,29)
• InChIKey: IVKSXMJDKDLQHC-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 685.739°C at 760 mmHg (Cal.)
• Flash point: 368.522°C (Cal.)