WVB
Summary
| Name: | 4-(4-aminobenzene-1-sulfonyl)benzene-1,2-diol |
| Formula: | C12 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 265.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-aminobenzene-1-sulfonyl)benzene-1,2-diol |
| OpenEye OEToolkits | 2.0.7 | 4-(4-aminophenyl)sulfonylbenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)S(=O)(=O)c1ccc(N)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H11NO4S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7,14-15H,13H2 |
| InChIKey | InChI | 1.06 | BWYBLJSYDXDXCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)[S](=O)(=O)c2ccc(O)c(O)c2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)[S](=O)(=O)c2ccc(O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)S(=O)(=O)c2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)S(=O)(=O)c2ccc(c(c2)O)O |
