| PDB CCD ID: | WSJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 N3 O3 S |
| InChI: | InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3 |
| InChIKey: | BDOBGHXBYQIIGP-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C | | ACDLabs 12.01 | N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C | | CACTVS 3.385 | CN1N(C(=O)C(=C1C)N[S](C)(=O)=O)c2ccccc2 |
|
| Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide |
| ChEMBL: | CHEMBL1525092 |
| ZINC: | ZINC000000340466 |
zhanggroup.org