V14

3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

Created:	2014-04-10
Last modified:	2015-01-28

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10 entries where V14 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	6

2D diagram of V14

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Chemical Component Summary
Name	3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-(2-hydroxyethylsulfonyl)benzenesulfonamide
Formula	C₁₆ H₂₃ F₃ N₂ O₅ S₂
Molecular Weight	444.489
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c2c(F)c(NC1CCCCCCC1)c(c(F)c2F)S(=O)(=O)CCO
SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)[S](=O)(=O)CCO
SMILES	OpenEye OEToolkits	1.7.6	C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)[S](=O)(=O)CCO
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F
InChI	InChI	1.03	InChI=1S/C16H23F3N2O5S2/c17-11-12(18)16(27(23,24)9-8-22)14(13(19)15(11)28(20,25)26)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,25,26)
InChIKey	InChI	1.03	HFJJAVOBUVMVFQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3359181
PubChem	73774785
ChEMBL	CHEMBL3359181

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