Chemical Components in the PDB

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UVZ : Summary

Code

UVZ

One-letter code

X

Molecule name

4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

Formula

C16 H14 Cl N O3 S

Formal charge

0

Molecular weight

335.805 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl
Canonical SMILES CACTVS 3.385 Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl

IUPAC InChI

InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2

IUPAC InChI key

DUQPZLJNAYHRKH-UHFFFAOYSA-N
UVZ

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-23

Last modified at

2021-06-04

Status

Released

Obsoleted

Not Assigned