| PDB CCD ID: | E90 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H11 N3 O3 S2 |
| InChI: | InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18) |
| InChIKey: | GQFCFNQXNFZIFC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2 | | CACTVS 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)CSc2ncccn2 | | OpenEye OEToolkits 1.7.2 | c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N |
|
| Name: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
| ChEMBL: | CHEMBL2011156 |
| ZINC: | ZINC000084619800 |
umich.edu