3-Cyclohexyl-1-[4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-Isoquinolin-2-Yl)Ethyl]Phenyl]Sulfonyl-Urea
[CAS# 62783-47-5]

Identification

• Name: 3-Cyclohexyl-1-[4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-Isoquinolin-2-Yl)Ethyl]Phenyl]Sulfonyl-Urea
• Synonyms: Sodium Cyclohexyl-[[4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxoisoquinolin-2-Yl)Ethyl]Phenyl]Sulfonylcarbamoyl]Azanide; Sodium Cyclohexylimino-[[4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-2-Isoquinolyl)Ethyl]Phenyl]Sulfonylamino]Methanolate; Sodium Cyclohexyl-[[4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-2-Isoquinolyl)Ethyl]Phenyl]Sulfonylcarbamoyl]Azanide
• Molecular Formula: C₂₇H₃₂N₃NaO₆S
• Molecular Weight: 549.62
• CAS Registry Number: 62783-47-5
• SMILES: C1=CC(=CC2=C1C(C(=O)N(C2=O)CCC4=CC=C([S](=O)(=O)NC(=O)[N-]C3CCCCC3)C=C4)(C)C)OC.[Na+]
• InChI: 1S/C27H33N3O6S.Na/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19;/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33);/q;+1/p-1
• InChIKey: DCLNDZSELPYYAX-UHFFFAOYSA-M

Properties

• Boiling point: 742.6°C at 760 mmHg (Cal.)
• Flash point: 402.9°C (Cal.)