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Summary

Name:	4,4'-(1,5-naphthyridine-3,7-diyldisulfonyl)di(benzene-1,2-diol)
Formula:	C20 H14 N2 O8 S2
Formal charge:	0
Formula weight:	474.464 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4,4'-(1,5-naphthyridine-3,7-diyldisulfonyl)di(benzene-1,2-diol)
OpenEye OEToolkits	2.0.7	4-[[7-[3,4-bis(oxidanyl)phenyl]sulfonyl-1,5-naphthyridin-3-yl]sulfonyl]benzene-1,2-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc(ccc1O)S(=O)(=O)c1cc2ncc(cc2nc1)S(=O)(=O)c1cc(O)c(O)cc1
InChI	InChI	1.06	InChI=1S/C20H14N2O8S2/c23-17-3-1-11(7-19(17)25)31(27,28)13-5-15-16(21-9-13)6-14(10-22-15)32(29,30)12-2-4-18(24)20(26)8-12/h1-10,23-26H
InChIKey	InChI	1.06	XURXJBDBEQBURO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)c2cnc3cc(cnc3c2)[S](=O)(=O)c4ccc(O)c(O)c4
SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)c2cnc3cc(cnc3c2)[S](=O)(=O)c4ccc(O)c(O)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)c2cc3c(cc(cn3)S(=O)(=O)c4ccc(c(c4)O)O)nc2)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)c2cc3c(cc(cn3)S(=O)(=O)c4ccc(c(c4)O)O)nc2)O)O

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PDB entries from 2026-11-04

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