Chemical Components in the PDB

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7JB : Summary

Code

7JB

One-letter code

X

Molecule name

~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide

Formula

C18 H17 N O4 S

Formal charge

0

Molecular weight

343.397 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
SMILES OpenEye OEToolkits 2.0.6 CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O
Canonical SMILES CACTVS 3.385 CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O

IUPAC InChI

InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3

IUPAC InChI key

LWNJBYGFPRLQHH-UHFFFAOYSA-N
7JB

wwPDB Information

Atom count

41 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-02

Last modified at

2018-11-09

Status

Released

Obsoleted

Not Assigned