2D4

N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE

Created:	2011-03-25
Last modified:	2011-06-04

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1 entries where 2D4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	23

2D diagram of 2D4

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Chemical Component Summary
Name	N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
Formula	C₂₀ H₁₅ N O₄ S₂
Molecular Weight	397.467
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4
SMILES	CACTVS	3.370	Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O
Canonical SMILES	CACTVS	3.370	Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O
InChI	InChI	1.03	InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H
InChIKey	InChI	1.03	NYXDSXZBPWSAFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1079383
ChEMBL	CHEMBL200628

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