A1H6D
Summary
| Name: | ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide |
| Formula: | C26 H26 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 480.022 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H26ClN3O2S/c27-25-17-20(11-12-23(25)21-7-2-1-3-8-21)18-28-14-4-5-15-30-33(31,32)26-10-6-9-22-19-29-16-13-24(22)26/h1-3,6-13,16-17,19,28,30H,4-5,14-15,18H2 |
| InChIKey | InChI | 1.06 | DYSFDQWRJKODKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(CNCCCCN[S](=O)(=O)c2cccc3cnccc23)ccc1c4ccccc4 |
| SMILES | CACTVS | 3.385 | Clc1cc(CNCCCCN[S](=O)(=O)c2cccc3cnccc23)ccc1c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNS(=O)(=O)c3cccc4c3ccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNS(=O)(=O)c3cccc4c3ccnc4 |
