7CT
Summary
| Name: | ~{N}-methylisoquinoline-5-sulfonamide |
| Formula: | C10 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 222.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methylisoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3 |
| InChIKey | InChI | 1.03 | NZGWDNMCXFHPJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNS(=O)(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNS(=O)(=O)c1cccc2c1ccnc2 |
