RYJ

4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

Created:	2011-05-13
Last modified:	2011-06-04

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1 entries where RYJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of RYJ

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Chemical Component Summary
Name	4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
Systematic Name (OpenEye OEToolkits)	4-sulfamoyl-N-[2,2,2-tris(fluoranyl)ethyl]benzamide
Formula	C₉ H₉ F₃ N₂ O₃ S
Molecular Weight	282.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1
SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F
SMILES	OpenEye OEToolkits	1.7.2	c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)
InChIKey	InChI	1.03	QTBXXSHAPCGITL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10379020
ChEMBL	CHEMBL451234

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