5VJ
Summary
| Name: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide |
| Formula: | C12 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 231.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO2S/c14-16(15)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8,13H |
| InChIKey | InChI | 1.03 | HXNJMXAYTVQMJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)Nc2ccccc2c3ccccc13 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)Nc2ccccc2c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2 |
