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

Systemtic Name: [4-[6-hexylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Openeye Name: [4-[6-hexylsulfonyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] hexane-1-sulfonate CAS Name: 1-hexanesulfonic acid IUPAC Name: [4-[6-hexylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] hexane-1-sulfonate Traditional Name: hexane-1-sulfonic acid [4-[6-hexylsulfonyloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C40H51NO8S3 MolecularWeight: 770.02984

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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)C(=O)C4=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)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C40H51NO8S3/c1-3-5-7-12-28-51(43,44)48-34-20-16-32(17-21-34)40-38(36-23-22-35(30-37(36)50-40)49-52(45,46)29-13-8-6-4-2)39(42)31-14-18-33(19-15-31)47-27-26-41-24-10-9-11-25-41/h14-23,30H,3-13,24-29H2,1-2H3