| PDB CCD ID: | OB0 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C16 H19 N3 O6 S2 |
| InChI: | InChI=1S/C16H19N3O6S2/c17-12-1-3-13(4-2-12)26(22,23)18-7-9-19(10-8-18)27(24,25)14-5-6-15(20)16(21)11-14/h1-6,11,20-21H,7-10,17H2 |
| InChIKey: | AWUAPCWPGNYJRR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(O)c(O)c3 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O | | ACDLabs 12.01 | O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1ccc(N)cc1 |
|
| Name: | 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
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