6QG
Summary
| Name: | 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione |
| Formula: | C21 H22 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 398.475 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N2O4S/c1-15-21-18-9-7-17(8-10-18)13-22-28(24,25)11-3-5-16-4-2-6-19(12-16)26-14-20(21)27-23-15/h2,4,6-10,12,22H,3,5,11,13-14H2,1H3 |
| InChIKey | InChI | 1.03 | XUNBRRXZHVGCEW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc2COc3cccc(CCC[S](=O)(=O)NCc4ccc(cc4)c12)c3 |
| SMILES | CACTVS | 3.385 | Cc1noc2COc3cccc(CCC[S](=O)(=O)NCc4ccc(cc4)c12)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4 |
