QY3

2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide

Created:	2022-11-16
Last modified:	2023-11-22

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1 entries where QY3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	17

2D diagram of QY3

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Chemical Component Summary
Name	2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide
Formula	C₂₁ H₂₃ F N₄ O₄ S₃
Molecular Weight	510.625
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(cc1[S](N)(=O)=O)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)c2ccc(s2)CN3CCN(CC3)S(=O)(=O)c4ccc(c(c4)S(=O)(=O)N)N)F
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1[S](N)(=O)=O)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)c2ccc(s2)CN3CCN(CC3)S(=O)(=O)c4ccc(c(c4)S(=O)(=O)N)N)F
InChI	InChI	1.06	InChI=1S/C21H23FN4O4S3/c22-18-4-2-1-3-17(18)20-8-5-15(31-20)14-25-9-11-26(12-10-25)33(29,30)16-6-7-19(23)21(13-16)32(24,27)28/h1-8,13H,9-12,14,23H2,(H2,24,27,28)
InChIKey	InChI	1.06	XZSUFNHHISUATE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139016541

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