IQS
Summary
| Name: | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE |
| Synonyms: | H-8 |
| Formula: | C12 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 265.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | N-(2-methylaminoethyl)isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cccc2c1ccnc2)NCCNC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.341 | CNCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCCNS(=O)(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNCCNS(=O)(=O)c1cccc2c1ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3 |
| InChIKey | InChI | 1.03 | PJWUXKNZVMEPPH-UHFFFAOYSA-N |
