Chemical Components in the PDB

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EVF : Summary

Code

EVF

One-letter code

X

Molecule name

1,3-benzothiazole-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1,3-benzothiazole-2-sulfonamide
OpenEye OEToolkits 1.7.2 1,3-benzothiazole-2-sulfonamide

Formula

C7 H6 N2 O2 S2

Formal charge

0

Molecular weight

214.265 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(c1nc2ccccc2s1)N
SMILES CACTVS 3.370 N[S](=O)(=O)c1sc2ccccc2n1
SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)nc(s2)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sc2ccccc2n1
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)nc(s2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)

IUPAC InChI key

SDYMYAFSQACTQP-UHFFFAOYSA-N
EVF

wwPDB Information

Atom count

19 (13 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

2011-12-16

Status

Released

Obsoleted

Not Assigned