Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCS(=O)(=O)NC1CCN(C(C)C)CC1)c2sc(Cl)cc2 |
InChI | InChI | 1.03 | InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20) |
InChIKey | InChI | 1.03 | XIOBNAKYNXSFFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N1CCC(CC1)N[S](=O)(=O)CCNC(=O)c2sc(Cl)cc2 |
SMILES | CACTVS | 3.370 | CC(C)N1CCC(CC1)N[S](=O)(=O)CCNC(=O)c2sc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl |