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

Systemtic Name: [4-[6-pentylsulfonyloxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Openeye Name: [4-[6-pentylsulfonyloxy-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzothiophen-2-yl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [4-[6-pentylsulfonyloxy-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [4-[6-amylsulfonyloxy-3-[4-(2-piperidinoethoxy)benzyl]benzothiophen-2-yl]phenyl] ester Formula: C38H49NO7S3 MolecularWeight: 727.99316

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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)CC4=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)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C38H49NO7S3/c1-3-5-10-26-48(40,41)45-33-18-14-31(15-19-33)38-36(28-30-12-16-32(17-13-30)44-25-24-39-22-8-7-9-23-39)35-21-20-34(29-37(35)47-38)46-49(42,43)27-11-6-4-2/h12-21,29H,3-11,22-28H2,1-2H3