Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1 |
SMILES_CANONICAL | CACTVS | 3.341 | NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19) |
InChIKey | InChI | 1.03 | QGGYVKRXFQLYQD-UHFFFAOYSA-N |