OKC

(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

Created:	2022-05-09
Last modified:	2023-05-24

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1 entries where OKC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of OKC

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Chemical Component Summary
Name	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-(4-piperidin-4-ylphenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)benzenesulfonamide
Formula	C₁₈ H₂₀ N₆ O₂ S
Molecular Weight	384.455
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
InChI	InChI	1.03	InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)
InChIKey	InChI	1.03	JLWPVVFPXXZFHC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118256901

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