81514-35-4
N-(2-{4-[(丁基氨基甲酰)氨磺酰]苯基}乙基)-5-氯-2-甲氧基-4-硝基苯磺酰胺
Name
N-(2-{4-[(丁基氨基甲酰)氨磺酰]苯基}乙基)-5-氯-2-甲氧基-4-硝基苯磺酰胺
pro_formula
C20 H25 Cl N4 O8 S2
pro_molWeight
549.023
1Identification
【Name】
N-(2-{4-[(丁基氨基甲酰)氨磺酰]苯基}乙基)-5-氯-2-甲氧基-4-硝基苯磺酰胺
【CAS】
【MDL】
MFCD01657653
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H25 Cl N4 O8 S2
【pro_molWeight】
549.023
【Inchi】
InChI=1S/C20H25ClN4O8S2/c1-3-4-10-22-20(26)24-34(29,30)15-7-5-14(6-8-15)9-11-23-35(31,32)19-12-16(21)17(25(27)28)13-18(19)33-2/h5-8,12-13,23H,3-4,9-11H2,1-2H3,(H2,22,24,26)
【InChIKey】
InChIKey=NALGHWVPFKRVFB-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CCNS(=O)(=O)c2cc(c(cc2OC)[N+](=O)[O-])Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:12
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2-{4-[(丁基氨基甲酰)氨磺酰]苯基}乙基)-5-氯-2-甲氧基-4-硝基苯磺酰胺.cml
quick_release
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