6YP
Summary
Name: | 4-butylbenzenesulfonamide |
Formula: | C10 H15 N O2 S |
Formal charge: | 0 |
Formula weight: | 213.297 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | 4-butylbenzenesulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13) |
InChIKey | InChI | 1.03 | IWEMSJAOIKQBBZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1ccc(cc1)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CCCCc1ccc(cc1)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCc1ccc(cc1)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.5 | CCCCc1ccc(cc1)S(=O)(=O)N |