Chemical Components in the PDB

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20Z : Summary

Code

20Z

One-letter code

X

Molecule name

4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
OpenEye OEToolkits 1.7.2 4-[(4-azanyl-5-naphthalen-2-ylcarbonyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

Formula

C20 H16 N4 O3 S2

Formal charge

0

Molecular weight

424.496 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)c4ccc(Nc1nc(c(s1)C(=O)c3cc2ccccc2cc3)N)cc4
SMILES CACTVS 3.370 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc4ccccc4c3
SMILES OpenEye OEToolkits 1.7.2 c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N
Canonical SMILES CACTVS 3.370 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc4ccccc4c3
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N

IUPAC InChI

InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)

IUPAC InChI key

SUFGPCLKXWRBHX-UHFFFAOYSA-N
20Z

wwPDB Information

Atom count

45 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-21

Last modified at

2012-10-26

Status

Released

Obsoleted

Not Assigned