6U1
Summary
| Name: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
| Formula: | C19 H17 N5 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 427.5 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) |
| InChIKey | InChI | 1.03 | HIUHVDROHDSKTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(n2)c3c[nH]c4ncccc34)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1cccc(CC(=O)Nc2scc(n2)c3c[nH]c4ncccc34)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4 |
