| PDB CCD ID: | YPD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H14 Cl N3 O5 S |
| InChI: | InChI=1S/C20H14ClN3O5S/c1-12-18(11-23-29-12)19(25)17(10-22)20(26)24-14-4-8-16(9-5-14)30(27,28)15-6-2-13(21)3-7-15/h2-9,11,25H,1H3,(H,24,26)/b19-17- |
| InChIKey: | CRJGEGMPYMIJCM-ZPHPHTNESA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Cc1oncc1C(/O)=C(\C#N)C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1 | | CACTVS 3.385 | Cc1oncc1C(O)=C(C#N)C(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccc(Cl)cc3 | | OpenEye OEToolkits 2.0.7 | Cc1c(cno1)C(=C(C#N)C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(cc3)Cl)O | | OpenEye OEToolkits 2.0.7 | Cc1c(cno1)/C(=C(\C#N)/C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(cc3)Cl)/O | | CACTVS 3.385 | Cc1oncc1C(/O)=C(C#N)/C(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccc(Cl)cc3 |
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| Name: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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