HIT ID: HIT217583710
Cas No: 896729-08-1
分子式: C21H21NO5S
分子量: 399.46
常用名: 4'-Aarboxylic acid imrecoxib
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[4-(4-methanesulfonylphenyl)-2-oxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]benzoic acid
IUPAC: 4-[4-(4-methanesulfonylphenyl)-2-oxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]benzoic acid
SMILES: CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O
SMILES: CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O
InChI key: UOLUFPJCRSHVKK-UHFFFAOYSA-N