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Summary Geometry Related PDB entries

XPI

Summary

Name:	4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide
Formula:	C19 H20 N2 O7 S
Formal charge:	0
Formula weight:	420.436 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1
InChIKey	InChI	1.06	UWPJANIOFXYDOC-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(OC)c(cc1OC)[C@@H]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O
SMILES	CACTVS	3.385	COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1OC)OC)[C@H]2C=C(C(=O)O2)Nc3ccc(cc3)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1OC)OC)C2C=C(C(=O)O2)Nc3ccc(cc3)S(=O)(=O)N

247536

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