A1IBR
Summary
| Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
| Formula: | C15 H16 F2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 326.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | FNCHZOWWNSAAOH-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C[C@@H](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 |
| SMILES | CACTVS | 3.385 | CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C[C@H](c1ccccc1)N)S(=O)(=O)c2cc(cc(c2)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(c1ccccc1)N)S(=O)(=O)c2cc(cc(c2)F)F |
