5S8
Summary
| Name: | ~{N}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide |
| Formula: | C23 H27 N3 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 489.608 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27,29-30H,3-6H2,1-2H3,(H,24,25,28) |
| InChIKey | InChI | 1.03 | CBCKCOMPEQUVAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1[S](O)(O)Nc2ccc(O)cc2)c3sc(NC(=O)C4CCCC4)nc3C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1[S](O)(O)Nc2ccc(O)cc2)c3sc(NC(=O)C4CCCC4)nc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC |
