[6-(3-butylsulfonyloxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl] butane-1-sulfonate

Systemtic Name: [6-(3-butylsulfonyloxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl] butane-1-sulfonate Openeye Name: [6-(3-butylsulfonyloxyphenyl)-5-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-2-naphthyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [6-(3-butylsulfonyloxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidinoethoxy)benzyl]-2-naphthyl] ester Formula: C38H47NO7S2 MolecularWeight: 693.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C=C2)C3=CC(=CC=C3)OS(=O)(=O)CCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C=C2)C3=CC(=CC=C3)OS(=O)(=O)CCCC)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C38H47NO7S2/c1-3-5-25-47(40,41)45-34-12-10-11-31(28-34)36-19-15-32-29-35(46-48(42,43)26-6-4-2)18-20-37(32)38(36)27-30-13-16-33(17-14-30)44-24-23-39-21-8-7-9-22-39/h10-20,28-29H,3-9,21-27H2,1-2H3