SG2
Summary
| Name: | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE |
| Formula: | C8 H8 N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 244.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-3-oxo-1,3-dihydro-2,1-benzisothiazole-5-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc2C(=O)SN(c2cc1)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1SC(=O)c2cc(ccc12)[S](N)(=O)=O |
| SMILES | CACTVS | 3.341 | CN1SC(=O)c2cc(ccc12)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13) |
| InChIKey | InChI | 1.03 | DFPYCCVFXMWMJM-UHFFFAOYSA-N |
