LC8
Summary
| Name: | 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide |
| Formula: | C11 H11 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 297.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O5S/c12-20(17,18)9-3-4-10(11(6-9)14(15)16)13-7-8-2-1-5-19-8/h1-6,13H,7H2,(H2,12,17,18) |
| InChIKey | InChI | 1.03 | NJOZGYRHKPIPKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N |
