7KB
Summary
| Name: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline |
| Formula: | C15 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 305.395 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O2S/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18/h2,4-5,10-11,16H,3,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | UGJIFGVOVGCXQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncc2cccc(c12)[S](=O)(=O)N3CCCNCC3 |
| SMILES | CACTVS | 3.385 | Cc1cncc2cccc(c12)[S](=O)(=O)N3CCCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3 |
