M77
Summary
| Name: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE |
| Synonyms: | Fasudil (5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE |
| Formula: | C14 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 291.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
| OpenEye OEToolkits | 1.7.2 | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 |
| InChIKey | InChI | 1.03 | NGOGFTYYXHNFQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23 |
| SMILES | CACTVS | 3.370 | O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 |
