J8N

4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide

Created:	2019-02-11
Last modified:	2020-02-26

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2 entries where J8N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of J8N

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Chemical Component Summary
Name	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
Formula	C₁₆ H₁₇ Cl N₂ O₄ S₂
Molecular Weight	400.9
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl
InChI	InChI	1.03	InChI=1S/C16H17ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h1-3,5-6,9-10,20H,4,7-8H2,(H,19,21)(H2,18,22,23)
InChIKey	InChI	1.03	BMTAXVGCZUSPJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126508087

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