| PDB CCD ID: | A1BFZ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H15 N3 O2 S |
| InChI: | InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3 |
| InChIKey: | DPWJNSPPALAEBZ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](N[S](C)(=O)=O)c1cnn(C)c1C | | OpenEye OEToolkits 3.1.0.0 | Cc1c(cnn1C)[C@@H](C)NS(=O)(=O)C | | OpenEye OEToolkits 3.1.0.0 | Cc1c(cnn1C)C(C)NS(=O)(=O)C | | CACTVS 3.385 | C[C@@H](N[S](C)(=O)=O)c1cnn(C)c1C | | ACDLabs 14.52 | Cn1ncc(C(C)NS(C)(=O)=O)c1C |
|
| Name: | N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide |
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