HS3
Summary
| Name: | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide |
| Synonyms: | (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide |
| Formula: | C10 H12 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 288.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N[C@H](CO)C(=O)N=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N[CH](CO)C(=O)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)NC(CO)C(=O)N=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | LPGVJAGNVVNWCU-SECBINFHSA-N |
