HIT ID: HIT212709189
Cas No: 275363-58-1
分子式: C21H24N2O7S
分子量: 448.49
常用名: MS 245 oxalate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 3.0737686
IUPAC: oxalic acid; {2-[1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl]ethyl}dimethylamine
IUPAC: oxalic acid; {2-[1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl]ethyl}dimethylamine
SMILES: OC(=O)C(O)=O.COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
SMILES: OC(=O)C(O)=O.COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
InChI key: BLSWAEGCRSFTJG-UHFFFAOYSA-N
