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4TW

Summary
Name:N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
Formula:C18 H16 F N3 O3 S2
Formal charge:0
Formula weight:405.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
OpenEye OEToolkits1.9.2N-[4-(2-fluoranylpyridin-4-yl)thiophen-2-yl]-2-[3-(methylsulfonylamino)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3cc(ncc3)F
InChIInChI1.03InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
InChIKeyInChI1.03IVWXFGRLNHCKNV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(c2)c3ccnc(F)c3)c1
SMILESCACTVS3.385C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(c2)c3ccnc(F)c3)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F
SMILESOpenEye OEToolkits1.9.2CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F

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数据于2024-07-24公开中

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