6YQ
Summary
| Name: | 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide |
| Formula: | C15 H12 Cl N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 349.792 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22) |
| InChIKey | InChI | 1.03 | SWJLGRBJIPSPCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N |
