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N8U

Summary
Name:~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide
Formula:C9 H11 N3 O2 S
Formal charge:0
Formula weight:225.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)
InChIKeyInChI1.06RCLHSLDLIZMGRM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
SMILESCACTVS3.385CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2
SMILESOpenEye OEToolkits2.0.7CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2

223532

數據於2024-08-07公開中

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