| PDB CCD ID: | X64 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H13 N5 O5 S2 |
| InChI: | InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) |
| InChIKey: | JXJHPQHLHQTQQI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-] | | CACTVS 3.370 | Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccccc3[N+]([O-])=O | | ACDLabs 12.01 | [O-][N+](=O)c1ccccc1C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N |
|
| Name: | 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
| ChEMBL: | CHEMBL2377825 |
| ZINC: | ZINC000095920805 |
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