SXS
Summary
| Name: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide |
| Formula: | C7 H6 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 198.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1ccc(cc1S(=O)(=O)N2)N |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10) |
| InChIKey | InChI | 1.03 | SSRKZHLPNHLAKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2C(=O)N[S](=O)(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2C(=O)N[S](=O)(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)NC2=O |
