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T6J

Summary
Name:2-[(methylsulfonyl)methyl]-1H-benzimidazole
Formula:C9 H10 N2 O2 S
Formal charge:0
Formula weight:210.253 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(methylsulfonyl)methyl]-1H-benzimidazole
OpenEye OEToolkits2.0.72-(methylsulfonylmethyl)-1~{H}-benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(nc2ccccc12)CS(C)(=O)=O
InChIInChI1.03InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
InChIKeyInChI1.03WCWTYTQSZZWNEW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Cc1[nH]c2ccccc2n1
SMILESCACTVS3.385C[S](=O)(=O)Cc1[nH]c2ccccc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)Cc1[nH]c2ccccc2n1
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Cc1[nH]c2ccccc2n1

217705

PDB entries from 2024-03-27

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