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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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