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Summary Geometry Related PDB entries

A1E4N

Summary

Name:	4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid
Formula:	C24 H20 Cl N O5 S
Formal charge:	0
Formula weight:	469.937 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H20ClNO5S/c25-20-6-1-17(2-7-20)19-5-10-22(24(27)28)23(15-19)26-32(29,30)21-8-3-16(4-9-21)18-11-13-31-14-12-18/h1-11,15,26H,12-14H2,(H,27,28)
InChIKey	InChI	1.06	HKESLHOABGRIEI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3=CCOCC3)c4ccc(Cl)cc4
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3=CCOCC3)c4ccc(Cl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2)NS(=O)(=O)c3ccc(cc3)C4=CCOCC4)C(=O)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2)NS(=O)(=O)c3ccc(cc3)C4=CCOCC4)C(=O)O)Cl

250835

PDB entries from 2026-03-18

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