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

O2L

Summary

Name:	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
Formula:	C17 H16 F4 N2 O4 S
Formal charge:	0
Formula weight:	420.379 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
OpenEye OEToolkits	2.0.7	~{N}-oxidanyl-4-[[propan-2-yl-[2,3,4,5-tetrakis(fluoranyl)phenyl]sulfonyl-amino]methyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C
InChI	InChI	1.03	InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
InChIKey	InChI	1.03	SJWJGLIJTRUXIZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F
SMILES	CACTVS	3.385	CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F
SMILES	OpenEye OEToolkits	2.0.7	CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon