3UF
Summary
| Name: | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide |
| Formula: | C8 H11 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 233.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 4-(2-hydroxyethylsulfanyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc(SCCO)cc1)N |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12) |
| InChIKey | InChI | 1.03 | LTXDVFFEVZJDGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(SCCO)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(SCCO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1SCCO)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1SCCO)S(=O)(=O)N |
