Chemical Components in the PDB

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FKE : Summary

Code

FKE

One-letter code

X

Molecule name

4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

Formula

C18 H20 N2 O3 S

Formal charge

0

Molecular weight

344.428 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N

IUPAC InChI

InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)

IUPAC InChI key

JYNGEJUBPGKEKV-UHFFFAOYSA-N
FKE

wwPDB Information

Atom count

44 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-17

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned