RYZ
N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
Created: | 2011-05-16 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide |
Systematic Name (OpenEye OEToolkits) | N-[2,2,3,3,4,4,4-heptakis(fluoranyl)butyl]-4-sulfamoyl-benzamide |
Formula | C11 H9 F7 N2 O3 S |
Molecular Weight | 382.255 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N |
Canonical SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23) |
InChIKey | InChI | 1.03 | NITAUHAUSHVTPT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10091273 |
ChEMBL | CHEMBL309012 |