2-[(phenylmethyl)sulfonylmethyl]-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: 2-[(phenylmethyl)sulfonylmethyl]-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: 2-(benzylsulfonylmethyl)-3-[2-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: 2-[(phenylmethyl)sulfonylmethyl]-3-[2-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: 2-(benzylsulfonylmethyl)-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: 2-(benzylsulfonylmethyl)-3-[2-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=CC=C2CC(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=CC=C2CC(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H35NO5S/c28-26(29)24(20-33(30,31)19-22-9-2-1-3-10-22)18-23-11-4-5-12-25(23)32-17-7-6-8-21-13-15-27-16-14-21/h1-5,9-12,21,24,27H,6-8,13-20H2,(H,28,29)