Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1cc(ccc1Cl)C(=O)Cn2cnc3ccccc23 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1cc(ccc1Cl)C(=O)Cn2cnc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22) |
InChIKey | InChI | 1.03 | XXDZSNJTAQNIAQ-UHFFFAOYSA-N |