HIT ID: HIT212714353
Cas No: 3653-50-7
分子式: C14H15Cl4NO5S
分子量: 451.14
常用名: Acetic acid, dichloro-, 2-(2,2-dichloro-N-(p-(methylsulfonyl)benzyl)acetamido)ethyl ester
常用名: Acetic acid, dichloro-, 2-(2,2-dichloro-N-(p-(methylsulfonyl)benzyl)acetamido)ethyl ester
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.2959256
IUPAC: 2-{2,2-dichloro-N-[(4-methanesulfonylphenyl)methyl]acetamido}ethyl 2,2-dichloroacetate
IUPAC: 2-{2,2-dichloro-N-[(4-methanesulfonylphenyl)methyl]acetamido}ethyl 2,2-dichloroacetate
SMILES: CS(=O)(=O)c1ccc(CN(CCOC(=O)C(Cl)Cl)C(=O)C(Cl)Cl)cc1
SMILES: CS(=O)(=O)c1ccc(CN(CCOC(=O)C(Cl)Cl)C(=O)C(Cl)Cl)cc1
InChI key: MPGNESVOGYGMHC-UHFFFAOYSA-N
