UVN
Summary
| Name: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
| Formula: | C11 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 268.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15) |
| InChIKey | InChI | 1.03 | AGWGMFBDKFNHRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 |
