V26

2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide

Created:	2016-07-27
Last modified:	2017-08-16

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1 entries where V26 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of V26

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Chemical Component Summary
Name	2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
Formula	C₁₅ H₁₅ F₃ N₂ O₄ S₂
Molecular Weight	408.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.5	CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F
Canonical SMILES	CACTVS	3.385	CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F
InChI	InChI	1.03	InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)
InChIKey	InChI	1.03	WQFYXDRMKJAGFX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3799577
PubChem	73776641
ChEMBL	CHEMBL3799577

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