| PDB CCD ID: | 04T |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C15 H15 N3 O5 S |
| InChI: | InChI=1S/C15H15N3O5S/c1-10(19)16-11-3-5-12(6-4-11)17-14-8-7-13(24(2,22)23)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19) |
| InChIKey: | JXZXJHWSQKISBZ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)[S](C)(=O)=O)cc1 | | ACDLabs 12.01 | O=S(=O)(c2cc(c(Nc1ccc(NC(=O)C)cc1)cc2)[N+]([O-])=O)C | | OpenEye OEToolkits 1.7.6 | CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C |
|
| Name: | N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide |
| ChEMBL: | CHEMBL4112856 |
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