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
Program | Version | Name |
ACDLabs | 12.01 | 2-[(methylsulfonyl)methyl]-1H-benzimidazole |
OpenEye OEToolkits | 2.0.7 | 2-(methylsulfonylmethyl)-1~{H}-benzimidazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(nc2ccccc12)CS(C)(=O)=O |
InChI | InChI | 1.03 | InChI=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) |
InChIKey | InChI | 1.03 | WCWTYTQSZZWNEW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Cc1[nH]c2ccccc2n1 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)Cc1[nH]c2ccccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Cc1[nH]c2ccccc2n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Cc1[nH]c2ccccc2n1 |