O5K
Summary
| Name: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea |
| Formula: | C16 H19 F N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 366.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19FN4O3S/c17-13-3-1-12(2-4-13)11-19-9-10-20-16(22)21-14-5-7-15(8-6-14)25(18,23)24/h1-8,19H,9-11H2,(H2,18,23,24)(H2,20,21,22) |
| InChIKey | InChI | 1.03 | SFIBCLIKHLLFJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(F)cc2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(F)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F |
