6TV
Summary
| Name: | ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide |
| Formula: | C14 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 293.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | CKDFSYRDWGXMGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | CCCNCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCNCCNS(=O)(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCNCCNS(=O)(=O)c1cccc2c1ccnc2 |
