IQU
Summary
| Name: | N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE |
| Formula: | C11 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 251.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(2-aminoethyl)isoquinoline-5-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | N-(2-aminoethyl)isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cccc2c1ccnc2)NCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.341 | NCCN[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCN |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2 |
| InChIKey | InChI | 1.03 | DCVZSHVZGVWQKV-UHFFFAOYSA-N |
