UQE
Summary
| Name: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide |
| Formula: | C21 H20 N6 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 500.551 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | QHHWCHMBFWYFFS-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)[C@H](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2 |
| SMILES | CACTVS | 3.385 | ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc3cn(nn3)[C@@H](Cc4ccc(cc4)O)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc3cn(nn3)C(Cc4ccc(cc4)O)C(=O)NO |
