O5L

N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide

Created:	2023-01-24
Last modified:	2024-01-17

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1 entries where O5L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

2D diagram of O5L

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Chemical Component Summary
Name	N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide
Formula	C₂₂ H₁₈ F₃ N₃ O₃ S
Molecular Weight	461.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(=O)NOCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(=O)NOCc2ccc(c(c2)C(F)(F)F)Sc3ccc(cc3)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(=O)NOCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(=O)NOCc2ccc(c(c2)C(F)(F)F)Sc3ccc(cc3)N
InChI	InChI	1.06	InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-11-13(1-10-19(18)32-17-8-6-16(26)7-9-17)12-31-28-21(30)15-4-2-14(3-5-15)20(27)29/h1-11H,12,26H2,(H2,27,29)(H,28,30)
InChIKey	InChI	1.06	GMAGLFSPJHGYAV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169503050

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