Chemical Components in the PDB

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EZ1 : Summary

Code

EZ1

One-letter code

X

Molecule name

4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
OpenEye OEToolkits 2.0.6 4-prop-2-enylselanylbenzenesulfonamide

Formula

C9 H11 N O2 S Se

Formal charge

0

Molecular weight

276.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc([Se]CC=C)cc1
SMILES OpenEye OEToolkits 2.0.6 C=CC[Se]c1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc([Se]CC=C)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 C=CC[Se]c1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)

IUPAC InChI key

KMBXWUNECGFGKU-UHFFFAOYSA-N
EZ1

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-13

Last modified at

2018-05-18

Status

Released

Obsoleted

Not Assigned