Chemical Components in the PDB

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QPZ : Summary

Code

QPZ

One-letter code

X

Molecule name

1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide

Formula

C18 H18 N2 O3 S

Formal charge

0

Molecular weight

342.412 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
SMILES OpenEye OEToolkits 2.0.7 CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C
Canonical SMILES CACTVS 3.385 CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C

IUPAC InChI

InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3

IUPAC InChI key

KBXRBUMRPUNHEH-UHFFFAOYSA-N
QPZ

wwPDB Information

Atom count

42 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-22

Last modified at

2021-07-30

Status

Released

Obsoleted

Not Assigned