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IR6

Summary
Name:1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
Formula:C23 H19 N O4 S
Formal charge:0
Formula weight:405.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
OpenEye OEToolkits1.7.61-[1-(2-methylsulfonylphenyl)-7-phenoxy-indolizin-3-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c4ccccc4c1cc(C(=O)C)n3c1cc(Oc2ccccc2)cc3)C
InChIInChI1.03InChI=1S/C23H19NO4S/c1-16(25)21-15-20(19-10-6-7-11-23(19)29(2,26)27)22-14-18(12-13-24(21)22)28-17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyInChI1.03DNOOBVIUDXIJGO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4[S](C)(=O)=O
SMILESCACTVS3.370CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C
SMILESOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C

223532

數據於2024-08-07公開中

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