CKI
Summary
| Name: | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE |
| Formula: | C11 H12 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 285.75 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | N-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1c2c(c(Cl)cc1)ccnc2)NCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCN[S](=O)(=O)c1ccc(Cl)c2ccncc12 |
| SMILES | CACTVS | 3.341 | NCCN[S](=O)(=O)c1ccc(Cl)c2ccncc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2 |
| InChIKey | InChI | 1.03 | OGKYMFFYOWUTKV-UHFFFAOYSA-N |
