P4W
Summary
| Name: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
| Formula: | C11 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 236.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3 |
| InChIKey | InChI | 1.03 | MRHJXMWWAQWJDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)c1cccc2c1ccnc2 |
