O7X

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

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

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count24
2D diagram of O7X
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Chemical Component Summary

Name(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
Systematic Name (OpenEye OEToolkits)2-[3,4-bis(oxidanyl)phenyl]-~{N}-[[4-(3-hydroxyphenyl)sulfonylphenyl]methyl]-4,5-bis(oxidanyl)benzenesulfonamide
FormulaC25 H21 N O9 S2
Molecular Weight543.566
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1
SMILESCACTVS3.385Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O)O
Canonical SMILESCACTVS3.385 Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c(cc3c4ccc(c(c4)O)O)O)O)O
InChIInChI1.03 InChI=1S/C25H21NO9S2/c27-17-2-1-3-19(11-17)36(32,33)18-7-4-15(5-8-18)14-26-37(34,35)25-13-24(31)23(30)12-20(25)16-6-9-21(28)22(29)10-16/h1-13,26-31H,14H2
InChIKeyInChI1.03 OWFVZEKCACEGQA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 167713133