USK
Summary
| Name: | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide |
| Formula: | C23 H23 N5 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 513.589 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | YNJVRCJGXCXRMB-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)C[C@H](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3[C@@H](Cc4ccc(cc4)O)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3C(Cc4ccc(cc4)O)CC(=O)NO |
