English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

TO3

Summary

Name:	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
Formula:	C20 H15 F4 N3 O4 S
Formal charge:	0
Formula weight:	469.409 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
OpenEye OEToolkits	2.0.7	~{N}-oxidanyl-4-[[pyridin-3-ylmethyl-[2,3,4,5-tetrakis(fluoranyl)phenyl]sulfonyl-amino]methyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(NO)c3ccc(CN(Cc1cnccc1)S(c2cc(c(c(F)c2F)F)F)(=O)=O)cc3
InChI	InChI	1.03	InChI=1S/C20H15F4N3O4S/c21-15-8-16(18(23)19(24)17(15)22)32(30,31)27(11-13-2-1-7-25-9-13)10-12-3-5-14(6-4-12)20(28)26-29/h1-9,29H,10-11H2,(H,26,28)
InChIKey	InChI	1.03	HBOMISXRZUHCSH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)c1ccc(CN(Cc2cccnc2)[S](=O)(=O)c3cc(F)c(F)c(F)c3F)cc1
SMILES	CACTVS	3.385	ONC(=O)c1ccc(CN(Cc2cccnc2)[S](=O)(=O)c3cc(F)c(F)c(F)c3F)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon