O8F

(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide

Created: 2022-04-27
Last modified:  2023-04-12

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count62
Aromatic Bond Count24
2D diagram of O8F
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Chemical Component Summary

Name(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
Systematic Name (OpenEye OEToolkits)2-[3,4-bis(oxidanyl)phenyl]-~{N}-[[4-[3,4-bis(oxidanyl)phenyl]sulfonylphenyl]methyl]-4,5-bis(oxidanyl)benzenesulfonamide
FormulaC25 H21 N O10 S2
Molecular Weight559.565
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
SMILESCACTVS3.385Oc1ccc(cc1O)c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(c(c3)O)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O
Canonical SMILESCACTVS3.385 Oc1ccc(cc1O)c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(c(c3)O)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O
InChIInChI1.03 InChI=1S/C25H21NO10S2/c27-19-7-3-15(9-21(19)29)18-11-23(31)24(32)12-25(18)38(35,36)26-13-14-1-4-16(5-2-14)37(33,34)17-6-8-20(28)22(30)10-17/h1-12,26-32H,13H2
InChIKeyInChI1.03 NNIYBSBWFCKKLS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 167713132