Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19) |
InChIKey | InChI | 1.06 | QNNCYWWAACHETJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N |