5WS
Summary
| Name: | ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide |
| Formula: | C12 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 266.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3 |
| InChIKey | InChI | 1.03 | LJTKZAIXTKZSBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(N[S](C)(=O)=O)cc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(N[S](C)(=O)=O)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C |
