4'-(Acetylamino)-4-[(3-Aminobenzoyl)Amino][1,1'-Biphenyl]-3-Sulphonic Acid
[CAS# 68189-37-7]

Identification

• Name: 4'-(Acetylamino)-4-[(3-Aminobenzoyl)Amino][1,1'-Biphenyl]-3-Sulphonic Acid
• Synonyms: 5-(4-Acetamidophenyl)-2-[[(3-Aminophenyl)-Oxomethyl]Amino]Benzenesulfonic Acid; 5-(4-Acetamidophenyl)-2-[(3-Aminophenyl)Carbonylamino]Benzenesulfonic Acid
• Molecular Formula: C₂₁H₁₉N₃O₅S
• Molecular Weight: 425.46
• CAS Registry Number: 68189-37-7
• EINECS: 269-194-4
• SMILES: C1=C(C=C(C=C1)C(=O)NC2=C([S](=O)(=O)O)C=C(C=C2)C3=CC=C(C=C3)NC(=O)C)N
• InChI: 1S/C21H19N3O5S/c1-13(25)23-18-8-5-14(6-9-18)15-7-10-19(20(12-15)30(27,28)29)24-21(26)16-3-2-4-17(22)11-16/h2-12H,22H2,1H3,(H,23,25)(H,24,26)(H,27,28,29)
• InChIKey: PPGMTXJUPIBUQX-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)