Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1ncc(cn1)CC)c2 |
InChI | InChI | 1.03 | InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21) |
InChIKey | InChI | 1.03 | SAVHXXXMJJLUJH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)nc1 |
SMILES | CACTVS | 3.370 | CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl |