| PDB CCD ID: | O88 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C19 H17 N O8 S2 |
| InChI: | InChI=1S/C19H17NO8S2/c21-16-7-5-14(9-18(16)23)29(25,26)13-3-1-12(2-4-13)11-20-30(27,28)15-6-8-17(22)19(24)10-15/h1-10,20-24H,11H2 |
| InChIKey: | ZBQJJGXTFOWIRF-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O | | CACTVS 3.385 | Oc1ccc(cc1O)[S](=O)(=O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 | | ACDLabs 12.01 | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 |
|
| Name: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide |
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