J95
Summary
| Name: | ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide |
| Formula: | C17 H26 Cl N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 387.925 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24) |
| InChIKey | InChI | 1.03 | WVNMCWQJUJCKNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N |
