HIT ID: HIT106797541
Cas No: 695160-12-4
分子式: C18H21N3O5S
分子量: 391.44
常用名: MBX2546
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.9625945
IUPAC: N-(3,5-dimethylphenyl)-2-[N-(2-methyl-5-nitrophenyl)methanesulfonamido]acetamide
IUPAC: N-(3,5-dimethylphenyl)-2-[N-(2-methyl-5-nitrophenyl)methanesulfonamido]acetamide
SMILES: Cc1cc(C)cc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)c1
SMILES: Cc1cc(C)cc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)c1
InChI key: XPPCEUZUDQSVQO-UHFFFAOYSA-N
