Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H34N2O4S/c1-4-5-6-7-15-27-17-18-28-16-14-23-29(25,26)22-13-9-10-19-20(22)11-8-12-21(19)24(2)3/h8-13,23H,4-7,14-18H2,1-3H3 |
InChIKey | InChI | 1.03 | ZQDZHRAPTBKCCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C |
SMILES | CACTVS | 3.385 | CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C |