3W3
Summary
Name: | 4-(allyloxy)benzenesulfonamide |
Synonyms: | 4-(prop-2-en-1-yloxy)benzenesulfonamide |
Formula: | C9 H11 N O3 S |
Formal charge: | 0 |
Formula weight: | 213.254 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-(prop-2-en-1-yloxy)benzenesulfonamide |
OpenEye OEToolkits | 1.7.6 | 4-prop-2-enoxybenzenesulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(OC\C=C)cc1 |
InChI | InChI | 1.03 | InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12) |
InChIKey | InChI | 1.03 | OYORSBMGLVESSS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(OCC=C)cc1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(OCC=C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCOc1ccc(cc1)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | C=CCOc1ccc(cc1)S(=O)(=O)N |