MSY
Summary
| Name: | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide |
| Formula: | C10 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 253.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cccc(c1)N2N=C(CC2=O)C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=NN(C(=O)C1)c2cccc(c2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.370 | CC1=NN(C(=O)C1)c2cccc(c2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16) |
| InChIKey | InChI | 1.03 | ASVVGQURNHNITH-UHFFFAOYSA-N |
