ONJ

(1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone

Created:	2019-07-01
Last modified:	2021-03-03

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1 entries where ONJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	18

2D diagram of ONJ

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Chemical Component Summary
Name	(1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone
Systematic Name (OpenEye OEToolkits)	1,3-dihydroisoindol-2-yl-[3-(3,4-dimethylphenyl)sulfanyl-4-oxidanyl-phenyl]methanone
Formula	C₂₃ H₂₁ N O₂ S
Molecular Weight	375.483
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(c(cc1)O)Sc2cc(c(cc2)C)C)C(N3Cc4c(C3)cccc4)=O
SMILES	CACTVS	3.385	Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3
Canonical SMILES	CACTVS	3.385	Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3
InChI	InChI	1.03	InChI=1S/C23H21NO2S/c1-15-7-9-20(11-16(15)2)27-22-12-17(8-10-21(22)25)23(26)24-13-18-5-3-4-6-19(18)14-24/h3-12,25H,13-14H2,1-2H3
InChIKey	InChI	1.03	AXEQZLWHIYQNKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804470

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