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Summary Geometry Related PDB entries

ZEP

Summary

Name:	N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
Formula:	C20 H21 F N2 O2 S2
Formal charge:	0
Formula weight:	404.521 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	~{N},~{N}-diethyl-4-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Cc2ccccc2F)n1
InChI	InChI	1.03	InChI=1S/C20H21FN2O2S2/c1-3-23(4-2)27(24,25)17-11-9-15(10-12-17)19-14-26-20(22-19)13-16-7-5-6-8-18(16)21/h5-12,14H,3-4,13H2,1-2H3
InChIKey	InChI	1.03	PZNJPNGENGJLBG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Cc3ccccc3F)n2
SMILES	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Cc3ccccc3F)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F

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