WB6
Summary
| Name: | 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide |
| Formula: | C10 H18 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 279.787 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-~{N},1-dimethyl-~{N}-[(2~{S})-pentan-2-yl]imidazole-4-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(ncn1C)S(=O)(=O)N(C)C(C)CCC |
| InChI | InChI | 1.06 | InChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | VOTAJWGOUUZPIW-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](C)N(C)[S](=O)(=O)c1ncn(C)c1Cl |
| SMILES | CACTVS | 3.385 | CCC[CH](C)N(C)[S](=O)(=O)c1ncn(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H](C)N(C)S(=O)(=O)c1c(n(cn1)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C)N(C)S(=O)(=O)c1c(n(cn1)C)Cl |
