Chemical Components in the PDB

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EO0 : Summary

Code

EO0

One-letter code

X

Molecule name

9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

Formula

C24 H24 N2 O3 S

Formal charge

0

Molecular weight

420.524 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
SMILES OpenEye OEToolkits 2.0.7 CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC
Canonical SMILES CACTVS 3.385 CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
Canonical SMILES OpenEye OEToolkits 2.0.7 CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC

IUPAC InChI

InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)

IUPAC InChI key

KZKZVXAMNPTZPQ-UHFFFAOYSA-N
EO0

wwPDB Information

Atom count

54 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-17

Last modified at

2021-01-01

Status

Released

Obsoleted

Not Assigned