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Summary Geometry Related PDB entries

A1L47

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
Formula:	C22 H19 N5 O3 S
Formal charge:	0
Formula weight:	433.483 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2-aminophenyl)-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
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
SMILES_CANONICAL	CACTVS	3.385	Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3
SMILES	CACTVS	3.385	Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4ccccc4N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4ccccc4N

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