Chemical Components in the PDB

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5XD : Summary

Code

5XD

One-letter code

X

Molecule name

4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide

Formula

C18 H21 N3 O4 S

Formal charge

0

Molecular weight

375.442 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC
SMILES OpenEye OEToolkits 2.0.4 CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C
Canonical SMILES CACTVS 3.385 CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC
Canonical SMILES OpenEye OEToolkits 2.0.4 CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C

IUPAC InChI

InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3

IUPAC InChI key

XTMAUXGMXOOESO-UHFFFAOYSA-N
5XD

wwPDB Information

Atom count

47 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-20

Last modified at

2015-12-24

Status

Released

Obsoleted

Not Assigned