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

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Basic information

EntryDatabase: PDB chemical components / ID: TZV
NameName: N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

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Chemical information

Composition
Formula: C16H15N3O4S / Number of atoms: 39 / Formula weight: 345.373 / Formal charge: 0
Others

6wew

Type: non-polymer / PDB classification: HETAIN / Three letter code: TZV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WEW
History
Create componentApr 3, 2020
Initial releaseSep 9, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.385COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03YDPVHBWULHMYJX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
OpenEye OEToolkits 2.0.77-methoxy-4-[4-(sulfamoylamino)phenoxy]quinoline

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PDB entries

Showing all 1 items

PDB-6wew:
Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

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