4-(3-Carboxy-Benzenesulfonyl)-[1,4]Diazepane-1-Carboxylic Acid Tert-Butyl Ester
[CAS# 864685-22-3]

Identification

• Name: 4-(3-Carboxy-Benzenesulfonyl)-[1,4]Diazepane-1-Carboxylic Acid Tert-Butyl Ester
• Synonyms: Fs011396
• Molecular Formula: C₁₇H₂₄N₂O₆S
• Molecular Weight: 384.45
• CAS Registry Number: 864685-22-3
• SMILES: C2=C([S](=O)(=O)N1CCN(C(OC(C)(C)C)=O)CCC1)C=CC=C2C(=O)O
• InChI: 1S/C17H24N2O6S/c1-17(2,3)25-16(22)18-8-5-9-19(11-10-18)26(23,24)14-7-4-6-13(12-14)15(20)21/h4,6-7,12H,5,8-11H2,1-3H3,(H,20,21)
• InChIKey: ZFEVPIOFSOWFHU-UHFFFAOYSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 561.616°C at 760 mmHg (Cal.)
• Flash point: 293.455°C (Cal.)