JWM
Summary
| Name: | N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide |
| Formula: | C19 H22 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 406.453 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{R})-3-methyl-3-methylsulfonyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-(6-oxidanylhexa-1,3-diynyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C(=O)NO)C(C)(C)S(C)(=O)=O)C(c1ccc(C#CC#CCCO)cc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2O6S/c1-19(2,28(3,26)27)16(18(24)21-25)20-17(23)15-11-9-14(10-12-15)8-6-4-5-7-13-22/h9-12,16,22,25H,7,13H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | RFKFCSZMHYSIDP-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)([C@H](NC(=O)c1ccc(cc1)C#CC#CCCO)C(=O)NO)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)([CH](NC(=O)c1ccc(cc1)C#CC#CCCO)C(=O)NO)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C |
