[4-[6-hexylsulfonyloxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate

Systemtic Name: [4-[6-hexylsulfonyloxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Openeye Name: [4-[6-hexylsulfonyloxy-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzothiophen-2-yl]phenyl] hexane-1-sulfonate CAS Name: 1-hexanesulfonic acid IUPAC Name: [4-[6-hexylsulfonyloxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Traditional Name: hexane-1-sulfonic acid [4-[6-hexylsulfonyloxy-3-[4-(2-piperidinoethoxy)benzyl]benzothiophen-2-yl]phenyl] ester Formula: C40H53NO7S3 MolecularWeight: 756.04632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C40H53NO7S3/c1-3-5-7-12-28-50(42,43)47-35-20-16-33(17-21-35)40-38(30-32-14-18-34(19-15-32)46-27-26-41-24-10-9-11-25-41)37-23-22-36(31-39(37)49-40)48-51(44,45)29-13-8-6-4-2/h14-23,31H,3-13,24-30H2,1-2H3