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2RM

Summary
Name:N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
Formula:C22 H16 F2 N2 O3 S
Formal charge:0
Formula weight:426.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
OpenEye OEToolkits1.7.6N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]indolizine-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4ccc3cccn3c4
InChIInChI1.03InChI=1S/C22H16F2N2O3S/c23-17-10-18(24)12-21(11-17)30(28,29)20-7-3-15(4-8-20)13-25-22(27)16-5-6-19-2-1-9-26(19)14-16/h1-12,14H,13H2,(H,25,27)
InChIKeyInChI1.03HRYUEDONVSHEJS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2
SMILESCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
SMILESOpenEye OEToolkits1.7.6c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F

222415

数据于2024-07-10公开中

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