Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(O)c(cc1)Cl)S(Nc2cc(CC(=O)O)ccc2)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H12ClNO5S/c15-11-5-2-6-12(14(11)19)22(20,21)16-10-4-1-3-9(7-10)8-13(17)18/h1-7,16,19H,8H2,(H,17,18) |
InChIKey | InChI | 1.03 | KIHNFFHPSDCHNU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O |