P7E
Summary
| Name: | 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde |
| Formula: | C13 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 296.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O4S/c1-11(17)14-6-8-15(9-7-14)20(18,19)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | ADTCFJRHDRXFNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
