T6J
2-[(methylsulfonyl)methyl]-1H-benzimidazole
Created: | 2020-03-16 |
Last modified: | 2020-03-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 2-[(methylsulfonyl)methyl]-1H-benzimidazole |
Systematic Name (OpenEye OEToolkits) | 2-(methylsulfonylmethyl)-1~{H}-benzimidazole |
Formula | C9 H10 N2 O2 S |
Molecular Weight | 210.253 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(nc2ccccc12)CS(C)(=O)=O |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)Cc1[nH]c2ccccc2n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Cc1[nH]c2ccccc2n1 |
Canonical SMILES | CACTVS | 3.385 | C[S](=O)(=O)Cc1[nH]c2ccccc2n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Cc1[nH]c2ccccc2n1 |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 7063878 |