| PDB CCD ID: | WB6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H18 Cl N3 O2 S |
| InChI: | 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: | VOTAJWGOUUZPIW-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCC(C)N(C)S(=O)(=O)c1c(n(cn1)C)Cl | | CACTVS 3.385 | CCC[CH](C)N(C)[S](=O)(=O)c1ncn(C)c1Cl | | OpenEye OEToolkits 2.0.7 | CCC[C@H](C)N(C)S(=O)(=O)c1c(n(cn1)C)Cl | | CACTVS 3.385 | CCC[C@H](C)N(C)[S](=O)(=O)c1ncn(C)c1Cl | | ACDLabs 12.01 | Clc1c(ncn1C)S(=O)(=O)N(C)C(C)CCC |
|
| Name: | 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide |
| ZINC: | ZINC000035247048 |
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