A1IBQ
Summary
| Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
| Formula: | C14 H14 F2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 312.335 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)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | FPOUFZSSRLIPGZ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CNS(=O)(=O)c2cc(cc(c2)F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CNS(=O)(=O)c2cc(cc(c2)F)F)N |
