AES
Summary
| Name: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE |
| Synonyms: | AEBSF |
| Formula: | C8 H10 F N O2 S |
| Formal charge: | 0 |
| Formula weight: | 203.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-aminoethyl)benzenesulfonyl fluoride |
| OpenEye OEToolkits | 1.7.6 | 4-(2-azanylethyl)benzenesulfonyl fluoride |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(F)(=O)c1ccc(cc1)CCN |
| InChI | InChI | 1.03 | InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 |
| InChIKey | InChI | 1.03 | MGSKVZWGBWPBTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCc1ccc(cc1)[S](F)(=O)=O |
| SMILES | CACTVS | 3.370 | NCCc1ccc(cc1)[S](F)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(=O)(=O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(=O)(=O)F |
