LRT
Summary
| Name: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine |
| Formula: | C14 H18 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 306.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17) |
| InChIKey | InChI | 1.03 | QITCSTCJTLZZMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3 |
| SMILES | CACTVS | 3.385 | Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 |
