KMG
Summary
| Name: | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide |
| Formula: | C12 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 267.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-methyl-2~{H}-indazol-5-yl)butane-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc2c1c(ccc(c1)NS(CCCC)(=O)=O)nn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | KOCNIUOZWPMKDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1 |
| SMILES | CACTVS | 3.385 | CCCC[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C |
