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

Systemtic Name: [4-[6-pentylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Openeye Name: [4-[6-pentylsulfonyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [4-[6-pentylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [4-[6-amylsulfonyloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C38H47NO8S3 MolecularWeight: 741.97668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C38H47NO8S3/c1-3-5-10-26-49(41,42)46-32-18-14-30(15-19-32)38-36(34-21-20-33(28-35(34)48-38)47-50(43,44)27-11-6-4-2)37(40)29-12-16-31(17-13-29)45-25-24-39-22-8-7-9-23-39/h12-21,28H,3-11,22-27H2,1-2H3