N92

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid

Created:	2019-11-18
Last modified:	2020-07-08

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1 entries where N92 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of N92

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Chemical Component Summary
Name	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
Formula	C₁₆ H₁₁ Cl N₂ O₃ S
Molecular Weight	346.788
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl
InChI	InChI	1.03	InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22)
InChIKey	InChI	1.03	NSPLXNBEHSXYHJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2212684

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