HIT ID: HIT100917395
Cas No: 173436-66-3
分子式: C15H15NO4S
分子量: 305.35
常用名: MSAB
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 3.6277
IUPAC: methyl 3-(4-methylbenzenesulfonamido)benzoate
IUPAC: methyl 3-(4-methylbenzenesulfonamido)benzoate
SMILES: COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
SMILES: COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChI key: CVKBYFCJQSPBOI-UHFFFAOYSA-N