UHW
Summary
| Name: | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
| Formula: | C12 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 268.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | YIEAFXUNUVTOQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
