N-(2-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)ethyl)-2-methoxy-5-methylsulfonylbenzamide
[CAS# 82608-06-8]

Identification

• Name: N-(2-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)ethyl)-2-methoxy-5-methylsulfonylbenzamide
• Synonyms: 2-Methoxy-5-Methylsulfonyl-N-[2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]Ethyl]Benzamide; 5-Mesyl-2-Methoxy-N-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Ethyl]Benzamide; Benzamide, 2-Methoxy-5-(Methylsulfonyl)-N-(2-(4-(Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)-1-Piperazinyl)Ethyl)-
• Molecular Formula: C₂₂H₂₆F₃N₃O₄S
• Molecular Weight: 485.52
• CAS Registry Number: 82608-06-8
• SMILES: C1=C(C=CC(=C1C(NCCN2CCN(CC2)C3=CC(=CC=C3)C(F)(F)F)=O)OC)[S](C)(=O)=O
• InChI: 1S/C22H26F3N3O4S/c1-32-20-7-6-18(33(2,30)31)15-19(20)21(29)26-8-9-27-10-12-28(13-11-27)17-5-3-4-16(14-17)22(23,24)25/h3-7,14-15H,8-13H2,1-2H3,(H,26,29)
• InChIKey: HAJTXSJCRLTGNH-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 641.286°C at 760 mmHg (Cal.)
• Flash point: 341.637°C (Cal.)