TUU
Summary
| Name: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
| Formula: | C14 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 291.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2 |
| InChIKey | InChI | 1.06 | YLQVZQMUQBENIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2S(=O)(=O)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2S(=O)(=O)N3CCCNCC3 |
