Chemical Components in the PDB

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EVJ : Summary

Code

EVJ

One-letter code

X

Molecule name

thiophene-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 thiophene-2-sulfonamide
OpenEye OEToolkits 1.7.2 thiophene-2-sulfonamide

Formula

C4 H5 N O2 S2

Formal charge

0

Molecular weight

163.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)c1sccc1
SMILES CACTVS 3.370 N[S](=O)(=O)c1sccc1
SMILES OpenEye OEToolkits 1.7.2 c1cc(sc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sccc1
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(sc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)

IUPAC InChI key

KTFDYVNEGTXQCV-UHFFFAOYSA-N
EVJ

wwPDB Information

Atom count

14 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-03

Last modified at

2011-10-14

Status

Released

Obsoleted

Not Assigned