HIT ID: HIT212033669
Cas No: 182004-65-5
分子式: C17H21N3O6S2
分子量: 427.49
常用名: KB-R7943 mesylate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.603
IUPAC: [(2-{4-[(4-nitrophenyl)methoxy]phenyl}ethyl)sulfanyl]methanimidamide; methanesulfonic acid
IUPAC: [(2-{4-[(4-nitrophenyl)methoxy]phenyl}ethyl)sulfanyl]methanimidamide; methanesulfonic acid
SMILES: CS(O)(=O)=O.NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
SMILES: CS(O)(=O)=O.NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: WGIKEBHIKKWJLG-UHFFFAOYSA-N
