| PDB CCD ID: | 6GQ |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H24 N4 O3 S |
| InChI: | InChI=1S/C19H24N4O3S/c1-16-6-8-17(9-7-16)27(25,26)21(2)15-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3 |
| InChIKey: | AVFZKEVCVCSCJE-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(CN(C)S(=O)(=O)c1ccc(C)cc1)N2CCN(CC2)c3ncccc3 | | CACTVS 3.385 | CN(CC(=O)N1CCN(CC1)c2ccccn2)[S](=O)(=O)c3ccc(C)cc3 | | OpenEye OEToolkits 2.0.4 | Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3 |
|
| Name: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide |
| ChEMBL: | CHEMBL1401186 |
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