3-(methylsulfonyloxymethyl)-5-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(methylsulfonyloxymethyl)-5-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(methylsulfonyloxymethyl)-5-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 3-(methylsulfonyloxymethyl)-5-(2-naphthalenylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(methylsulfonyloxymethyl)-5-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(methylsulfonyloxymethyl)-5-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C35H39NO8S MolecularWeight: 633.75106

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCC1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C35H39NO8S/c1-45(39,40)44-25-31-21-36(35(37)38)22-33(43-24-27-12-13-28-10-5-6-11-30(28)20-27)34(31)29-14-16-32(17-15-29)42-19-7-18-41-23-26-8-3-2-4-9-26/h2-6,8-17,20,31,33-34H,7,18-19,21-25H2,1H3,(H,37,38)