Chemical Components in the PDB

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GZE : Summary

Code

GZE

One-letter code

X

Molecule name

[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

Formula

C14 H11 Cl F3 N3 O4 S

Formal charge

0

Molecular weight

409.768 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N

IUPAC InChI

InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)

IUPAC InChI key

MPRZOKLPIVROML-UHFFFAOYSA-N
GZE

wwPDB Information

Atom count

37 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-26

Last modified at

2019-11-15

Status

Released

Obsoleted

Not Assigned