Chemical Components in the PDB

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ENN : Summary

Code

ENN

One-letter code

X

Molecule name

~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide

Formula

C11 H14 Cl2 N2 O3 S

Formal charge

0

Molecular weight

325.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N

IUPAC InChI

InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)

IUPAC InChI key

KRIUYRKSVUBELV-UHFFFAOYSA-N
ENN

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-02

Last modified at

2019-03-08

Status

Released

Obsoleted

Not Assigned