Chemical Components in the PDB

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HCZ : Summary

Code

HCZ

One-letter code

X

Molecule name

6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

Systematic names

ProgramVersionName
ACDLabs 11.02 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
OpenEye OEToolkits 1.6.1 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide

Formula

C7 H8 Cl N3 O4 S2

Formal charge

0

Molecular weight

297.739 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
SMILES CACTVS 3.352 N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
SMILES OpenEye OEToolkits 1.7.0 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
Canonical SMILES CACTVS 3.352 N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
Canonical SMILES OpenEye OEToolkits 1.7.0 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2

IUPAC InChI

InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

IUPAC InChI key

JZUFKLXOESDKRF-UHFFFAOYSA-N
HCZ

wwPDB Information

Atom count

25 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-08-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned