Chemical Component Summary

Name[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
Identifiers2-[4-[butyl-[2-methyl-3-(4-methylsulfanylphenyl)phenyl]sulfamoyl]naphthalen-1-yl]oxyethanoic acid
FormulaC30 H31 N O5 S2
Molecular Weight549.701
TypeNON-POLYMER
Isomeric SMILESCCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O
InChIInChI=1S/C30H31NO5S2/c1-4-5-19-31(27-12-8-11-24(21(27)2)22-13-15-23(37-3)16-14-22)38(34,35)29-18-17-28(36-20-30(32)33)25-9-6-7-10-26(25)29/h6-18H,4-5,19-20H2,1-3H3,(H,32,33)
InChIKeyXUMLNRUSPQDSIN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count72
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 53384645