9TE
Summary
| Name: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
| Formula: | C17 H18 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 346.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O4S/c1-22-13-3-2-4-14(9-13)23-15-7-8-16-17(10-15)24(20,21)18-11-19(16)12-5-6-12/h2-4,7-10,12,18H,5-6,11H2,1H3 |
| InChIKey | InChI | 1.03 | CTMHATKTIDUKBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Oc2ccc3N(CN[S](=O)(=O)c3c2)C4CC4)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(Oc2ccc3N(CN[S](=O)(=O)c3c2)C4CC4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4 |
