A1L4X

N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid

Created:	2024-10-15
Last modified:	2025-10-15

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1 entries where A1L4X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	28

2D diagram of A1L4X

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Chemical Component Summary
Name	N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid
Synonyms	~{N}-[2-azanyl-5-(furan-2-yl)phenyl]-4-[2-(phenylsulfonylmethyl)-1,2$l^{4},3-triazacyclopenta-2,4-dien-4-yl]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-azanyl-5-(furan-2-yl)phenyl]-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide
Formula	C₂₆ H₂₁ N₅ O₄ S
Molecular Weight	499.541
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(cc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3)c5occc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccco5
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3)c5occc5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccco5
InChI	InChI	1.06	InChI=1S/C26H21N5O4S/c27-22-13-12-20(25-7-4-14-35-25)15-23(22)28-26(32)19-10-8-18(9-11-19)24-16-31(30-29-24)17-36(33,34)21-5-2-1-3-6-21/h1-16H,17,27H2,(H,28,32)
InChIKey	InChI	1.06	XCJIKXQBHOGKHC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	149188625
ChEMBL	CHEMBL5432347

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