[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid (Q27453760)

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

19 October 2016

chemical formula

C₃₀H₃₁NO₅S₂

1 reference

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

19 October 2016

canonical SMILES

CCCCN(C1=CC=CC(=C1C)C2=CC=C(C=C2)SC)S(=O)(=O)C3=CC=C(C4=CC=CC=C43)OCC(=O)O

1 reference

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

19 October 2016

isomeric SMILES

CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

3EQ

InChI=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)

16 February 2021

Identifiers

InChI

1 reference

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

XUMLNRUSPQDSIN-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

19 October 2016

1 reference

[(4-{Butyl[2-methyl-4'-(methylsulfanyl)-3-biphenylyl]sulfamoyl}-1-naphthyl)oxy]acetic acid (English)

19 October 2016

1 reference

[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid (English)

19 October 2016

1 reference

0 references

1 reference

3PEQ (English)