| PDB CCD ID: | E49 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H14 Cl N3 O3 S2 |
| InChI: | InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-11(15)13(6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21) |
| InChIKey: | GMUOUKSISIODEJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | Cc1cc(C)nc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)n1 | | OpenEye OEToolkits 1.7.2 | Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C | | ACDLabs 12.01 | O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1nc(cc(n1)C)C)c2 |
|
| Name: | 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
| ChEMBL: | CHEMBL2010997 |
| ZINC: | ZINC000084602494 |
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