| PDB CCD ID: | RK9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H14 N4 O3 S2 |
| InChI: | InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19) |
| InChIKey: | AUZRVQWOOJLPJO-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1 | | CACTVS 3.385 | CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2cccc(c2)C#N | | OpenEye OEToolkits 2.0.7 | CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2cccc(c2)C#N)C |
|
| Name: | N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide |
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