A1IEN
Summary
| Name: | methyl 4-(2-phenylethylsulfanyl)-3-sulfamoyl-benzoate |
| Formula: | C16 H17 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 351.44 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-(2-phenylethylsulfanyl)-3-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17NO4S2/c1-21-16(18)13-7-8-14(15(11-13)23(17,19)20)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,17,19,20) |
| InChIKey | InChI | 1.06 | DJFWXUDQIPGFCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(SCCc2ccccc2)c(c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(SCCc2ccccc2)c(c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SCCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SCCc2ccccc2 |
