HIT ID: HIT218847752
Cas No: 2227303-52-6
分子式: C19H29BrN4O8S2
分子量: 585.49
常用名: CP-506
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(2-bromoethyl)[5-(4-ethylpiperazine-1-carbonyl)-2-methanesulfonyl-4-nitrophenyl]amino]ethyl methanesulfonate
IUPAC: 2-[(2-bromoethyl)[5-(4-ethylpiperazine-1-carbonyl)-2-methanesulfonyl-4-nitrophenyl]amino]ethyl methanesulfonate
SMILES: CCN1CCN(CC1)C(=O)c1cc(N(CCBr)CCOS(C)(=O)=O)c(cc1[N+]([O-])=O)S(C)(=O)=O
SMILES: CCN1CCN(CC1)C(=O)c1cc(N(CCBr)CCOS(C)(=O)=O)c(cc1[N+]([O-])=O)S(C)(=O)=O
InChI key: SKBYSCFKFJRHSZ-UHFFFAOYSA-N