B4Z
Summary
| Name: | ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide |
| Formula: | C18 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 341.427 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O2S/c22-24(23,18-8-4-7-16-14-19-10-9-17(16)18)21-12-11-20-13-15-5-2-1-3-6-15/h1-10,14,20-21H,11-13H2 |
| InChIKey | InChI | 1.03 | ZTJCSTLGCMXYAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(NCCNCc1ccccc1)c2cccc3cnccc23 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(NCCNCc1ccccc1)c2cccc3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3 |
