TBL
Summary
| Name: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine |
| Synonyms: | (R)-2-(4-methoxyphenylsulfonamido)propanoic acid |
| Formula: | C10 H13 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 259.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(4-methoxyphenyl)sulfonyl]-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | XTCIPBHRVYICGT-SSDOTTSWSA-N |
