A1CFK
Summary
| Name: | 1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid |
| Formula: | C14 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 288.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid |
| OpenEye OEToolkits | 3.1.0.0 | 1-(phenylmethyl)benzimidazole-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O3S/c17-20(18,19)14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19) |
| InChIKey | InChI | 1.06 | HGYLMBSADYHHGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1nc2ccccc2n1Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1nc2ccccc2n1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Cn2c3ccccc3nc2S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Cn2c3ccccc3nc2S(=O)(=O)O |
