Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1cc2OC(=O)C3=C(c2cc1)CCCCC3)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) |
InChIKey | InChI | 1.03 | DSLPMJSGSBLWRE-UHFFFAOYSA-N |