OK0

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

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

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count53
Aromatic Bond Count17
2D diagram of OK0

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Chemical Component Summary

Name(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
Systematic Name (OpenEye OEToolkits)3-(4-piperidin-4-ylphenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
FormulaC19 H19 F3 N6 O2 S
Molecular Weight452.453
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
SMILESCACTVS3.385N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
InChIInChI1.03 InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)
InChIKeyInChI1.03 IVCVEUVKOPZGEI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118266421