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

Systemtic Name: [6-(2-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-naphthalen-2-yl] butane-1-sulfonate Openeye Name: [6-(2-butylsulfonyloxyphenyl)-5-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-naphthyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [6-(2-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [6-(2-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=C3OS(=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=C3OS(=O)(=O)CCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C38H45NO8S2/c1-3-5-26-48(41,42)46-32-19-21-33-30(28-32)16-20-35(34-12-8-9-13-36(34)47-49(43,44)27-6-4-2)37(33)38(40)29-14-17-31(18-15-29)45-25-24-39-22-10-7-11-23-39/h8-9,12-21,28H,3-7,10-11,22-27H2,1-2H3