Chemical Components in the PDB

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SZG : Summary

Code

SZG

One-letter code

X

Molecule name

~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide

Formula

C20 H13 Cl F4 N2 O4 S

Formal charge

0

Molecular weight

488.84 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F
Canonical SMILES CACTVS 3.385 FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F

IUPAC InChI

InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28)

IUPAC InChI key

NAGQOJQGBKEXGZ-UHFFFAOYSA-N
SZG

wwPDB Information

Atom count

45 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-13

Last modified at

2021-04-02

Status

Released

Obsoleted

Not Assigned