Chemical Components in the PDB

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U7Z : Summary

Code

U7Z

One-letter code

X

Molecule name

4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide

Formula

C18 H18 Cl N3 O4 S

Formal charge

0

Molecular weight

407.871 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl

IUPAC InChI

InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)

IUPAC InChI key

ZWAGEDFCAJXKDS-UHFFFAOYSA-N
U7Z

wwPDB Information

Atom count

45 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-28

Last modified at

2021-07-09

Status

Released

Obsoleted

Not Assigned