A1L47

N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide

Created:	2024-10-22
Last modified:	2025-10-15

Find Related PDB Entry
1 entries where A1L47 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	23

2D diagram of A1L47

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide
Synonyms	~{N}-(2-aminophenyl)-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-aminophenyl)-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide
Formula	C₂₂ H₁₉ N₅ O₃ S
Molecular Weight	433.483
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4ccccc4N
Canonical SMILES	CACTVS	3.385	Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4ccccc4N
InChI	InChI	1.06	InChI=1S/C22H19N5O3S/c23-19-8-4-5-9-20(19)24-22(28)17-12-10-16(11-13-17)21-14-27(26-25-21)15-31(29,30)18-6-2-1-3-7-18/h1-14H,15,23H2,(H,24,28)
InChIKey	InChI	1.06	SOJIATBITBDKBA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146872300

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.