DT7
Summary
| Name: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide |
| Formula: | C11 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 272.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide |
| OpenEye OEToolkits | 1.6.1 | (2R)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(N)N2Cc1c(cc(OC)c(OC)c1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc2CCN(Cc2cc1OC)[S](N)(=O)=O |
| SMILES | CACTVS | 3.352 | COc1cc2CCN(Cc2cc1OC)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)CN(CC2)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15) |
| InChIKey | InChI | 1.03 | YDCHIXAESCPAOW-UHFFFAOYSA-N |
