V49
Summary
| Name: | 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide |
| Formula: | C13 H6 F4 N2 O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 394.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21) |
| InChIKey | InChI | 1.03 | YVWIZEXTHJMGAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(Sc2sc3ccccc3n2)c(F)c1F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(Sc2sc3ccccc3n2)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F |
