Chemical Components in the PDB

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TZV : Summary

Code

TZV

One-letter code

X

Molecule name

N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
OpenEye OEToolkits 2.0.7 7-methoxy-4-[4-(sulfamoylamino)phenoxy]quinoline

Formula

C16 H15 N3 O4 S

Formal charge

0

Molecular weight

345.373 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3
SMILES CACTVS 3.385 COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N
Canonical SMILES CACTVS 3.385 COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N

IUPAC InChI

InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21)

IUPAC InChI key

YDPVHBWULHMYJX-UHFFFAOYSA-N
TZV

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-03

Last modified at

2020-09-04

Status

Released

Obsoleted

Not Assigned