| PDB CCD ID: | 283 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H17 N O3 S2 |
| InChI: | InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1 |
| InChIKey: | BLIQFUCBRCDFAI-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N2CC[CH](S)C2 | | OpenEye OEToolkits 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)N2CCC(C2)S | | OpenEye OEToolkits 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S | | CACTVS 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N2CC[C@H](S)C2 | | ACDLabs 10.04 | O=S(=O)(c1ccc(OCC#CC)cc1)N2CCC(S)C2 |
|
| Name: | (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL |
| ChEMBL: | CHEMBL243024 |
| DrugBank: | DB06943 |
| ZINC: | ZINC000016052299 |
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