6TY
Summary
| Name: | 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline |
| Formula: | C14 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 291.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | BDVFVCGFMNCYPV-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CNCCN1[S](=O)(=O)c2cccc3cnccc23 |
| SMILES | CACTVS | 3.385 | C[CH]1CNCCN1[S](=O)(=O)c2cccc3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 |
