A90
Summary
| Name: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid |
| Synonyms: | Daltroban |
| Formula: | C16 H16 Cl N O4 S |
| Formal charge: | 0 |
| Formula weight: | 353.821 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) |
| InChIKey | InChI | 1.03 | IULOBWFWYDMECP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O |
