Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC |
InChI | InChI | 1.06 | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 |
InChIKey | InChI | 1.06 | NDRARVKETDZHBS-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H]1COc2n(C1)ncc2[S](=O)(=O)NC(=O)Nc3c4CCCc4cc5CCCc35 |
SMILES | CACTVS | 3.385 | CN[CH]1COc2n(C1)ncc2[S](=O)(=O)NC(=O)Nc3c4CCCc4cc5CCCc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@H]1Cn2c(c(cn2)S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)OC1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC1Cn2c(c(cn2)S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)OC1 |