PIN
Summary
| Name: | PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) |
| Synonyms: | PIPES 1,4-PIPERAZINEDIETHANESULFONIC ACID |
| Formula: | C8 H18 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 302.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,2'-piperazine-1,4-diyldiethanesulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16) |
| InChIKey | InChI | 1.03 | IHPYMWDTONKSCO-UHFFFAOYSA-N |
