[4-(4-cyanophenyl)-4-[4-(oxan-2-yloxy)phenoxy]butyl] methanesulfonate

Systemtic Name: [4-(4-cyanophenyl)-4-[4-(oxan-2-yloxy)phenoxy]butyl] methanesulfonate Openeye Name: [4-(4-cyanophenyl)-4-(4-tetrahydropyran-2-yloxyphenoxy)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-cyanophenyl)-4-[4-(2-oxanyloxy)phenoxy]butyl] ester IUPAC Name: [4-(4-cyanophenyl)-4-[4-(oxan-2-yloxy)phenoxy]butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-cyanophenyl)-4-(4-tetrahydropyran-2-yloxyphenoxy)butyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC(C1=CC=C(C=C1)C#N)OC2=CC=C(C=C2)OC3CCCCO3

Isomeric SMILES

CS(=O)(=O)OCCCC(C1=CC=C(C=C1)C#N)OC2=CC=C(C=C2)OC3CCCCO3

InChI

InChI=1S/C23H27NO6S/c1-31(25,26)28-16-4-5-22(19-9-7-18(17-24)8-10-19)29-20-11-13-21(14-12-20)30-23-6-2-3-15-27-23/h7-14,22-23H,2-6,15-16H2,1H3