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7KT : Summary

Code

7KT

One-letter code

X

Molecule name

~{N},2,4,6-tetramethylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N},2,4,6-tetramethylbenzenesulfonamide

Formula

C10 H15 N O2 S

Formal charge

0

Molecular weight

213.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN[S](=O)(=O)c1c(C)cc(C)cc1C
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(c(c(c1)C)S(=O)(=O)NC)C
Canonical SMILES CACTVS 3.385 CN[S](=O)(=O)c1c(C)cc(C)cc1C
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(c(c(c1)C)S(=O)(=O)NC)C

IUPAC InChI

InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3

IUPAC InChI key

MIMYTDNFDINXHB-UHFFFAOYSA-N
7KT

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-07

Last modified at

2017-12-15

Status

Released

Obsoleted

Not Assigned