Chemical Components in the PDB

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RMU : Summary

Code

RMU

One-letter code

X

Molecule name

4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
OpenEye OEToolkits 2.0.7 4-[(6-chloranyl-5-cyano-pyridin-3-yl)sulfamoyl]-5-methyl-furan-2-carboxamide

Formula

C12 H9 Cl N4 O4 S

Formal charge

0

Molecular weight

340.742 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O
SMILES CACTVS 3.385 Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N
Canonical SMILES CACTVS 3.385 Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N

IUPAC InChI

InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)

IUPAC InChI key

WARQQVLLUYXXAU-UHFFFAOYSA-N
RMU

wwPDB Information

Atom count

31 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-23

Last modified at

2022-07-01

Status

Released

Obsoleted

Not Assigned