GZE
Summary
| Name: | [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate |
| Formula: | C14 H11 Cl F3 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 409.768 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) |
| InChIKey | InChI | 1.03 | MPRZOKLPIVROML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N |
