HIT ID: HIT212668333
Cas No: 890409-86-6
分子式: C14H15N3O8S3
分子量: 449.47
常用名: SNPB-sulfo-Me
氢键受体数 (HBA): 8
氢键供体数 (HBD): 0
LogP: 0.5852025
IUPAC: 3-methanesulfonyl-2,5-dioxopyrrolidin-1-yl 4-[(5-nitropyridin-2-yl)disulfanyl]butanoate
IUPAC: 3-methanesulfonyl-2,5-dioxopyrrolidin-1-yl 4-[(5-nitropyridin-2-yl)disulfanyl]butanoate
SMILES: CS(=O)(=O)C1CC(=O)N(OC(=O)CCCSSc2ccc(cn2)[N+]([O-])=O)C1=O
SMILES: CS(=O)(=O)C1CC(=O)N(OC(=O)CCCSSc2ccc(cn2)[N+]([O-])=O)C1=O
InChI key: RIXGLVALRPRFJK-UHFFFAOYSA-N