N-(4,6-Dimethylpyrimidin-2-Yl)-4-[[(Z)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-N-[2-(2H-Tetrazol-5-Yl)Ethyl]Benzenesulfonamide
[CAS# 78311-80-5]

Identification

• Name: N-(4,6-Dimethylpyrimidin-2-Yl)-4-[[(Z)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-N-[2-(2H-Tetrazol-5-Yl)Ethyl]Benzenesulfonamide
• Synonyms: N-(4,6-Dimethyl-2-Pyrimidinyl)-4-[[(Z)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-N-[2-(2H-Tetrazol-5-Yl)Ethyl]Benzenesulfonamide; N-(4,6-Dimethylpyrimidin-2-Yl)-4-[[(Z)-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-N-[2-(2H-Tetrazol-5-Yl)Ethyl]Benzenesulfonamide; N-(4,6-Dimethylpyrimidin-2-Yl)-4-[[(Z)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-N-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Ethyl]Benzenesulfonamide
• Molecular Formula: C₂₂H₂₂N₈O₃S
• Molecular Weight: 478.53
• CAS Registry Number: 78311-80-5
• SMILES: C3=C([S](=O)(=O)N(CCC1=N[NH]N=N1)C2=NC(=CC(=N2)C)C)C=CC(=C3)N\C=C4/C(=O)C=CC=C4
• InChI: 1S/C22H22N8O3S/c1-15-13-16(2)25-22(24-15)30(12-11-21-26-28-29-27-21)34(32,33)19-9-7-18(8-10-19)23-14-17-5-3-4-6-20(17)31/h3-10,13-14,23H,11-12H2,1-2H3,(H,26,27,28,29)/b17-14-
• InChIKey: CMVQVPQKVOINNB-VKAVYKQESA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 758.371°C at 760 mmHg (Cal.)
• Flash point: 412.448°C (Cal.)