2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[2-[(6-cyano-2-naphthyl)oxy]-5-(methanesulfonamido)phenyl]-4,5-dimethoxy-benzoic acid CAS Name: 2-[2-[(6-cyano-2-naphthalenyl)oxy]-5-(methanesulfonamido)phenyl]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-(methanesulfonamido)phenyl]-4,5-dimethoxybenzoic acid Traditional Name: 2-[2-(6-cyano-2-naphthoxy)-5-(methanesulfonamido)phenyl]-4,5-dimethoxy-benzoic acid Formula: C27H22N2O7S MolecularWeight: 518.53778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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)OC

Isomeric SMILES

COC1=C(C=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)OC

InChI

InChI=1S/C27H22N2O7S/c1-34-25-13-21(23(27(30)31)14-26(25)35-2)22-12-19(29-37(3,32)33)7-9-24(22)36-20-8-6-17-10-16(15-28)4-5-18(17)11-20/h4-14,29H,1-3H3,(H,30,31)