Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23) |
InChIKey | InChI | 1.03 | MALIONKMKPITBV-UHFFFAOYSA-N |