869
Summary
| Name: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE |
| Synonyms: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)-(6-METHANESULFONYL-4'-METHOXY-2-METHYL-BIPHENYL-3-YL)-METHANONE |
| Formula: | C23 H26 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 442.528 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)[4'-methoxy-2-methyl-6-(methylsulfonyl)biphenyl-3-yl]methanone |
| OpenEye OEToolkits | 1.5.0 | (1-tert-butyl-5-hydroxy-pyrazol-4-yl)-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c(O)n(nc1)C(C)(C)C)c3ccc(c(c2ccc(OC)cc2)c3C)S(=O)(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)c3cnn(c3O)C(C)(C)C |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)c3cnn(c3O)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3 |
| InChIKey | InChI | 1.03 | AVFXBZIGDFPGBY-UHFFFAOYSA-N |
