Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1c(cc2c(c1)S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[C@@H](N[S]3(=O)=O)C4CCCC4)cc2C |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3(=O)=O)C4CCCC4)cc2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)NC(C2)C4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H29N3O4S2/c1-14-11-16-12-17(15-5-3-4-6-15)20-27(23,24)19(16)13-18(14)28(25,26)22-9-7-21(2)8-10-22/h11,13,15,17,20H,3-10,12H2,1-2H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | KQAGZLQCEURCKJ-QGZVFWFLSA-N |