M2U
Summary
| Name: | ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide |
| Formula: | C11 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 251.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3 |
| InChIKey | InChI | 1.06 | GGFXNMABROEKLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1cnn(c1C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1cnn(c1C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)S(=O)(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)S(=O)(=O)NC |
