D6B
Summary
| Name: | methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate |
| Formula: | C14 H17 N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 355.432 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O4S2/c1-10-9-22-14(16-10)17(8-7-13(18)21-2)11-3-5-12(6-4-11)23(15,19)20/h3-6,9H,7-8H2,1-2H3,(H2,15,19,20) |
| InChIKey | InChI | 1.06 | OOQUAFFUOXOIDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCN(c1scc(C)n1)c2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)CCN(c1scc(C)n1)c2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)N(CCC(=O)OC)c2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)N(CCC(=O)OC)c2ccc(cc2)S(=O)(=O)N |
