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Summary Geometry Related PDB entries

Y6F

Summary

Name:	MMV009108
Synonyms:	4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide
Formula:	C21 H25 N3 O2 S2
Formal charge:	0
Formula weight:	415.572 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	4-[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]-~{N},~{N}-diethyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Nc2ccc(C)c(C)c2)n1
InChI	InChI	1.06	InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)
InChIKey	InChI	1.06	CFAYJTHICHSZHC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Nc3ccc(C)c(C)c3)n2
SMILES	CACTVS	3.385	CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Nc3ccc(C)c(C)c3)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Nc3ccc(c(c3)C)C
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Nc3ccc(c(c3)C)C

247947

PDB entries from 2026-01-21

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