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E2I

Summary
Name:4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:C16 H19 N3 O3 S2
Formal charge:0
Formula weight:365.47 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
OpenEye OEToolkits1.7.24-[2-(5-butylpyrimidin-2-yl)sulfanylethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(C(=O)CSc1ncc(cn1)CCCC)cc2
InChIInChI1.03InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,21,22)
InChIKeyInChI1.03CLDNCMHZQXFDJO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCc1cnc(SCC(=O)c2ccc(cc2)[S](N)(=O)=O)nc1
SMILESCACTVS3.370CCCCc1cnc(SCC(=O)c2ccc(cc2)[S](N)(=O)=O)nc1
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.2CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N

223532

數據於2024-08-07公開中

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