| PDB CCD ID: | AW6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H12 Cl N O6 S |
| InChI: | InChI=1S/C20H12ClNO6S/c21-10-5-7-11(8-6-10)29(27,28)22-15-9-14-16(20(26)19(15)25)18(24)13-4-2-1-3-12(13)17(14)23/h1-9,22,25-26H |
| InChIKey: | MWTMFTAKBRZAHX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1N[S](=O)(=O)c4ccc(Cl)cc4 | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl | | ACDLabs 12.01 | N(S(=O)(=O)c1ccc(cc1)Cl)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O |
|
| Name: | 4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide |
| ChEMBL: | CHEMBL5287487 |
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