Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1NS(C)(=O)=O)c2nc(c3c2CCCC3=O)C)Oc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3 |
InChIKey | InChI | 1.03 | GZFJPALDEYOFHA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O |