Chemical Components in the PDB

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LSA : Summary

Code

LSA

One-letter code

X

Molecule name

1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

Synonyms

SACCHARIN

Systematic names

ProgramVersionName
ACDLabs 10.04 1,2-benzisothiazol-3(2H)-one 1,1-dioxide
OpenEye OEToolkits 1.5.0 1,1-dioxo-1,2-benzothiazol-3-one

Formula

C7 H5 N O3 S

Formal charge

0

Molecular weight

183.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1ccccc1S(=O)(=O)N2
SMILES CACTVS 3.341 O=C1N[S](=O)(=O)c2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)NS2(=O)=O
Canonical SMILES CACTVS 3.341 O=C1N[S](=O)(=O)c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)NS2(=O)=O

IUPAC InChI

InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

IUPAC InChI key

CVHZOJJKTDOEJC-UHFFFAOYSA-N
LSA

wwPDB Information

Atom count

17 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-06-05

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned