A1JOU
Summary
| Name: | 4-(2-fluoranyl-4-sulfamoyl-phenyl)-~{N}-(4-fluorophenyl)piperazine-1-carboxamide |
| Formula: | C17 H18 F2 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 396.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-fluoranyl-4-sulfamoyl-phenyl)-~{N}-(4-fluorophenyl)piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18F2N4O3S/c18-12-1-3-13(4-2-12)21-17(24)23-9-7-22(8-10-23)16-6-5-14(11-15(16)19)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26) |
| InChIKey | InChI | 1.06 | PFJNVTBAMOPZNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(N2CCN(CC2)C(=O)Nc3ccc(F)cc3)c(F)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(N2CCN(CC2)C(=O)Nc3ccc(F)cc3)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)N2CCN(CC2)c3ccc(cc3F)S(=O)(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)N2CCN(CC2)c3ccc(cc3F)S(=O)(=O)N)F |
