N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (Q27453480)

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (English)

19 October 2016

chemical formula

C₂₂H₂₄N₄O₆S₃

1 reference

stated in

RCSB protein data bank

PDB ligand ID

321

16 February 2021

canonical SMILES

CC(C)CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)O)C3=NC4=CC=C(C=C4S(=O)(=O)C3)NS(=O)(=O)C

1 reference

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (English)

InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3

19 October 2016

Identifiers

InChI

1 reference

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (English)

KLPXSYJOJCQFSY-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (English)

19 October 2016

1 reference

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide (English)

19 October 2016

1 reference

RCSB PDB - 321 Ligand Summary Page (English)

stated in

RCSB protein data bank

https://www.rcsb.org/ligand/321

22 February 2021

reference URL

1 reference

0 references

1 reference

3CWJ (English)