STC
Summary
| Name: | 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID |
| Formula: | C11 H8 Cl N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 317.769 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15) |
| InChIKey | InChI | 1.03 | YRWKEEDITQJPCZ-UHFFFAOYSA-N |
