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

Systemtic Name: [6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-naphthalen-2-yl] butane-1-sulfonate Openeye Name: [6-(3-butylsulfonyloxyphenyl)-5-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-naphthyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidinoethoxy)benzoyl]-2-naphthyl] ester Formula: C38H45NO8S2 MolecularWeight: 707.8958

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

InChI

InChI=1S/C38H45NO8S2/c1-3-5-25-48(41,42)46-33-12-10-11-30(27-33)35-19-15-31-28-34(47-49(43,44)26-6-4-2)18-20-36(31)37(35)38(40)29-13-16-32(17-14-29)45-24-23-39-21-8-7-9-22-39/h10-20,27-28H,3-9,21-26H2,1-2H3