XOF
Summary
| Name: | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide |
| Formula: | C25 H24 Cl N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 497.994 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-5-[ethyl(phenyl)sulfamoyl]-~{N}-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31) |
| InChIKey | InChI | 1.06 | DXAJOSDSBRJHSK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O |
| SMILES | CACTVS | 3.385 | CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl |
