Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C32H48N4O4S2/c1-27-12-16-31(17-13-27)41(37,38)35-22-8-20-34(26-29-10-6-5-7-11-29)21-9-23-36(25-28(2)24-35)42(39,40)32-18-14-30(15-19-32)33(3)4/h12-19,29H,2,5-11,20-26H2,1,3-4H3 |
InChIKey | InChI | 1.06 | JWLBLCMSJYGCFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4 |
SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4 |