JFY
Summary
| Name: | N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide |
| Formula: | C11 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[4-[(2~{S})-butan-2-yl]phenyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C(CC)C)ccc(c1)NS(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)12-15(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | VJWRIEFAIWFTHG-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)c1ccc(N[S](C)(=O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC[CH](C)c1ccc(N[S](C)(=O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)c1ccc(cc1)NS(=O)(=O)C |
