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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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count17
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
FormulaC18 H20 N6 O2 S
Molecular Weight384.455
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
SMILESCACTVS3.385N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
InChIInChI1.03 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)
InChIKeyInChI1.03 JLWPVVFPXXZFHC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118256901