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Summary Geometry Related PDB entries

A1E4Q

Summary

Name:	~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide
Formula:	C25 H18 Cl N5 O2 S
Formal charge:	0
Formula weight:	487.961 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H18ClN5O2S/c26-21-11-6-19(7-12-21)20-10-15-23(25-27-30-31-28-25)24(16-20)29-34(32,33)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,29H,(H,27,28,30,31)
InChIKey	InChI	1.06	KBGKPMOGQFOILI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1)c2ccc(c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2)c5[nH]nnn5
SMILES	CACTVS	3.385	Clc1ccc(cc1)c2ccc(c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2)c5[nH]nnn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)Cl

250835

PDB entries from 2026-03-18

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