HIT ID: HIT212711928
Cas No: 406228-58-8
分子式: C36H47N5O5S2
分子量: 693.92
常用名: A-371191
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 6.3818483
IUPAC: 4-{8-azaspiro[4.5]decan-8-yl}-N-(4-{[(2R)-6-(dimethylamino)-1-(phenylsulfanyl)hexan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide
IUPAC: 4-{8-azaspiro[4.5]decan-8-yl}-N-(4-{[(2R)-6-(dimethylamino)-1-(phenylsulfanyl)hexan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide
SMILES: CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(CCCC2)CC1
SMILES: CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(CCCC2)CC1
InChI key: OYHVBZRUUWRRKB-GDLZYMKVSA-N
