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E36

Summary
Name:2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:C17 H14 Cl N3 O5 S2
Formal charge:0
Formula weight:439.893 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
OpenEye OEToolkits1.7.02-chloro-5-[2-(6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)ethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc2nc4c(n2)cc3OCCOc3c4
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3cc4OCCOc4cc3n2
SMILESCACTVS3.370N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3cc4OCCOc4cc3n2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl
InChIInChI1.03InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)
InChIKeyInChI1.03CPDWGRXCTGPNOE-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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