[4-[6-pentylsulfonyloxy-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]phenyl] pentane-1-sulfonate

Systemtic Name: [4-[6-pentylsulfonyloxy-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]phenyl] pentane-1-sulfonate Openeye Name: [4-[6-pentylsulfonyloxy-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-2-naphthyl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [4-[6-pentylsulfonyloxy-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [4-[6-amylsulfonyloxy-1-[4-(2-piperidinoethoxy)benzyl]-2-naphthyl]phenyl] ester Formula: C40H51NO7S2 MolecularWeight: 721.96544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(C=C2)C=C(C=C3)OS(=O)(=O)CCCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(C=C2)C=C(C=C3)OS(=O)(=O)CCCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C40H51NO7S2/c1-3-5-10-28-49(42,43)47-36-19-14-33(15-20-36)38-22-16-34-31-37(48-50(44,45)29-11-6-4-2)21-23-39(34)40(38)30-32-12-17-35(18-13-32)46-27-26-41-24-8-7-9-25-41/h12-23,31H,3-11,24-30H2,1-2H3