L4Q
Summary
Name: | 4-hexylbenzenesulfonamide |
Formula: | C12 H19 N O2 S |
Formal charge: | 0 |
Formula weight: | 241.35 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-hexylbenzenesulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H19NO2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H2,13,14,15) |
InChIKey | InChI | 1.03 | QGCVBPONRAFDHS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(cc1)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CCCCCCc1ccc(cc1)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(cc1)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(cc1)S(=O)(=O)N |