7-((N-Tosylphenylalanyl)Amino)-4-Chloro-3-Methoxyisocoumarin
[CAS# 99033-29-1]

Identification

• Name: 7-((N-Tosylphenylalanyl)Amino)-4-Chloro-3-Methoxyisocoumarin
• Synonyms: (2S)-N-(4-Chloro-3-Methoxy-1-Oxo-Isochromen-7-Yl)-2-[(4-Methylphenyl)Sulfonylamino]-3-Phenyl-Propanamide; (2S)-N-(4-Chloro-3-Methoxy-1-Oxo-7-Isochromenyl)-2-[(4-Methylphenyl)Sulfonylamino]-3-Phenylpropanamide; (2S)-N-(4-Chloro-1-Keto-3-Methoxy-Isochromen-7-
• Molecular Formula: C₂₆H₂₃ClN₂O₆S
• Molecular Weight: 526.99
• CAS Registry Number: 99033-29-1
• SMILES: [C@@H](N[S](=O)(=O)C1=CC=C(C=C1)C)(C(=O)NC3=CC2=C(C(=C(OC2=O)OC)Cl)C=C3)CC4=CC=CC=C4
• InChI: 1S/C26H23ClN2O6S/c1-16-8-11-19(12-9-16)36(32,33)29-22(14-17-6-4-3-5-7-17)24(30)28-18-10-13-20-21(15-18)25(31)35-26(34-2)23(20)27/h3-13,15,22,29H,14H2,1-2H3,(H,28,30)/t22-/m0/s1
• InChIKey: BBTYOKUUVRVXQH-QFIPXVFZSA-N

Properties

• Density: 1.445g/cm³ (Cal.)