2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]-5-(2-methylpropoxy)benzoic acid

Systemtic Name: 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]-5-(2-methylpropoxy)benzoic acid Openeye Name: 2-[2-[(6-cyano-2-naphthyl)oxy]-5-(methanesulfonamido)phenyl]-5-isobutoxy-benzoic acid CAS Name: 2-[2-[(6-cyano-2-naphthalenyl)oxy]-5-(methanesulfonamido)phenyl]-5-(2-methylpropoxy)benzoic acid IUPAC Name: 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methanesulfonamido)phenyl]-5-(2-methylpropoxy)benzoic acid Traditional Name: 2-[2-(6-cyano-2-naphthoxy)-5-(methanesulfonamido)phenyl]-5-isobutoxy-benzoic acid Formula: C29H26N2O6S MolecularWeight: 530.59154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=C(C=C1)C2=C(C=CC(=C2)NS(=O)(=O)C)OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CC(C)COC1=CC(=C(C=C1)C2=C(C=CC(=C2)NS(=O)(=O)C)OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C29H26N2O6S/c1-18(2)17-36-23-9-10-25(27(15-23)29(32)33)26-14-22(31-38(3,34)35)7-11-28(26)37-24-8-6-20-12-19(16-30)4-5-21(20)13-24/h4-15,18,31H,17H2,1-3H3,(H,32,33)