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Summary Geometry Related PDB entries

L7J

Summary

Name:	6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
Formula:	C21 H15 Cl2 F3 N2 O3 S
Formal charge:	0
Formula weight:	503.322 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
OpenEye OEToolkits	2.0.7	6-[[3,5-bis(chloranyl)pyridin-4-yl]methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(ccc1)C(F)(F)F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O)=O
InChI	InChI	1.03	InChI=1S/C21H15Cl2F3N2O3S/c22-18-10-27-11-19(23)17(18)12-31-15-5-4-13-6-7-28(20(13)9-15)32(29,30)16-3-1-2-14(8-16)21(24,25)26/h1-5,8-11H,6-7,12H2
InChIKey	InChI	1.03	PXLLMOZEQWSZPR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)(F)c1cccc(c1)[S](=O)(=O)N2CCc3ccc(OCc4c(Cl)cncc4Cl)cc23
SMILES	CACTVS	3.385	FC(F)(F)c1cccc(c1)[S](=O)(=O)N2CCc3ccc(OCc4c(Cl)cncc4Cl)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F

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PDB entries from 2026-01-14

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