A1IEL
Summary
| Name: | methyl 4-(phenylmethylsulfanyl)-3-sulfamoyl-benzoate |
| Formula: | C15 H15 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 337.414 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-(phenylmethylsulfanyl)-3-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15NO4S2/c1-20-15(17)12-7-8-13(14(9-12)22(16,18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,16,18,19) |
| InChIKey | InChI | 1.06 | CXBXZNMRTZQGLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(SCc2ccccc2)c(c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(SCc2ccccc2)c(c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SCc2ccccc2 |
