Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1cc(ccc1Cl)[C@@]2(O)NC(=O)c3ccccc23 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | JIVPVXMEBJLZRO-AWEZNQCLSA-N |