Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c3ccc(c2cc(Cl)cnc2c1cnc(cc1)C)cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O |
SMILES | CACTVS | 3.341 | Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 |
InChIKey | InChI | 1.03 | MNJVRJDLRVPLFE-UHFFFAOYSA-N |