M28
Summary
| Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID |
| Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE |
| Formula: | C9 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 229.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-sulfamoylphenyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(4-sulfamoylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(cc1)CCC(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(CCC(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(CCC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC(=O)O)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) |
| InChIKey | InChI | 1.03 | JUEONDBIBADVGD-UHFFFAOYSA-N |
