RFN
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
Created: | 2011-11-04 |
Last modified: | 2011-11-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 45 |
Chiral Atom Count | 1 |
Bond Count | 46 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide |
Systematic Name (OpenEye OEToolkits) | (2R)-2-methyl-2-methylsulfonyl-N-oxidanyl-4-(2-oxidanylidene-4-phenyl-pyridin-1-yl)butanamide |
Formula | C17 H20 N2 O5 S |
Molecular Weight | 364.416 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccccc2)C)C |
SMILES | CACTVS | 3.370 | C[C](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C |
Canonical SMILES | CACTVS | 3.370 | C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C17H20N2O5S/c1-17(16(21)18-22,25(2,23)24)9-11-19-10-8-14(12-15(19)20)13-6-4-3-5-7-13/h3-8,10,12,22H,9,11H2,1-2H3,(H,18,21)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NFQOWMXNJNMRTA-QGZVFWFLSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 56593152 |
ChEMBL | CHEMBL2023131 |