Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC)ccc3)cccc4)CC)C |
InChI | InChI | 1.03 | InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20- |
InChIKey | InChI | 1.03 | PHIKAOOZNGLKDI-QQTULTPQSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(\c1cccc(N[S](C)(=O)=O)c1)=C2/c3ccccc3OCc4cccc(OC)c24 |
SMILES | CACTVS | 3.370 | CCC(c1cccc(N[S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=C1c2ccccc2OCc3c1c(ccc3)OC)c4cccc(c4)NS(=O)(=O)C |