Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(cc1)c5ccc2c(ccc(O)c2)c5Oc4ccc(OCCN3CCCCC3)cc4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)c1ccc(cc1)c2ccc3cc(O)ccc3c2Oc4ccc(OCCN5CCCCC5)cc4 |
SMILES | CACTVS | 3.341 | C[S](=O)(=O)c1ccc(cc1)c2ccc3cc(O)ccc3c2Oc4ccc(OCCN5CCCCC5)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O |
InChI | InChI | 1.03 | InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3 |
InChIKey | InChI | 1.03 | NJVFOFMHUJJIMB-UHFFFAOYSA-N |