A1H6C
Summary
| Name: | (4-sulfamoylphenyl) 3-(4-methylphenyl)sulfanylpropanoate |
| Synonyms: | 4-sulfamoylphenyl 3-(p-tolylthio)propanoate |
| 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 | (4-sulfamoylphenyl) 3-(4-methylphenyl)sulfanylpropanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17NO4S2/c1-12-2-6-14(7-3-12)22-11-10-16(18)21-13-4-8-15(9-5-13)23(17,19)20/h2-9H,10-11H2,1H3,(H2,17,19,20) |
| InChIKey | InChI | 1.06 | AQONNBBQRNVHRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(SCCC(=O)Oc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(SCCC(=O)Oc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)SCCC(=O)Oc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)SCCC(=O)Oc2ccc(cc2)S(=O)(=O)N |
