Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN |
SMILES_CANONICAL | CACTVS | 3.341 | NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES | CACTVS | 3.341 | NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN |
InChI | InChI | 1.03 | InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 |
InChIKey | InChI | 1.03 | IDEHCMNLNCJQST-UHFFFAOYSA-N |