Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

EG2 : Summary

Code

EG2

One-letter code

X

Molecule name

AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-sulfamoylbenzamide
OpenEye OEToolkits 1.5.0 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoyl-benzamide

Formula

C13 H21 N3 O5 S

Formal charge

0

Molecular weight

331.388 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1
SMILES CACTVS 3.341 NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N

IUPAC InChI

InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)

IUPAC InChI key

QGGYVKRXFQLYQD-UHFFFAOYSA-N
EG2

wwPDB Information

Atom count

43 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned