Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3 |
InChIKey | InChI | 1.03 | GANNRSDWVBVNOE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3 |
SMILES | CACTVS | 3.385 | COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 |