Chemical Components in the PDB

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K4B : Summary

Code

K4B

One-letter code

X

Molecule name

4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide

Formula

C17 H19 N3 O3 S

Formal charge

0

Molecular weight

345.416 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N

IUPAC InChI

InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23)

IUPAC InChI key

ZWNARYKSNTWUOM-UHFFFAOYSA-N
K4B

wwPDB Information

Atom count

43 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-22

Last modified at

2020-05-08

Status

Released

Obsoleted

Not Assigned