TWS

N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide

Created:	2020-04-02
Last modified:	2020-07-22

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1 entries where TWS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of TWS

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Chemical Component Summary
Name	N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide
Systematic Name (OpenEye OEToolkits)	4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-~{N}-oxidanyl-benzamide
Formula	C₁₈ H₁₈ N₂ O₃
Molecular Weight	310.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23
SMILES	CACTVS	3.385	OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO
Canonical SMILES	CACTVS	3.385	OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO
InChI	InChI	1.03	InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)
InChIKey	InChI	1.03	ACXGELCLQKZFMQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146676960

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