| PDB CCD ID: | KGY |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C22 H27 N3 O8 S2 |
| InChI: | InChI=1S/C22H27N3O8S2/c1-4-5-14-32-18-6-8-19(9-7-18)34(28,29)15-22(21(26)23-27)10-12-25(13-11-22)35(30,31)20-16(2)24-33-17(20)3/h6-9,27H,10-15H2,1-3H3,(H,23,26) |
| InChIKey: | BIGQJQKSDHOEOM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO | | ACDLabs 10.04 | O=S(=O)(c1c(onc1C)C)N3CCC(C(=O)NO)(CS(=O)(=O)c2ccc(OCC#CC)cc2)CC3 | | CACTVS 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)CC2(CCN(CC2)[S](=O)(=O)c3c(C)onc3C)C(=O)NO |
|
| Name: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE |
| ChEMBL: | CHEMBL234567 |
| ZINC: | ZINC000028816892 |
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