Chemical Components in the PDB

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OSP : Summary

Code

OSP

One-letter code

X

Molecule name

SULTHIAME

Synonyms

4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide
OpenEye OEToolkits 1.5.0 4-(1,1-dioxo-1,2-thiazinan-2-yl)benzenesulfonamide

Formula

C10 H14 N2 O4 S2

Formal charge

0

Molecular weight

290.359 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2
SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

IUPAC InChI key

HMHVCUVYZFYAJI-UHFFFAOYSA-N
OSP

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-06-21

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned