(2R)-2-(butylsulfonylmethyl)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2R)-2-(butylsulfonylmethyl)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2R)-2-(butylsulfonylmethyl)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2R)-2-(butylsulfonylmethyl)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2R)-2-(butylsulfonylmethyl)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2R)-2-(butylsulfonylmethyl)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C23H37NO5S MolecularWeight: 439.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)C[C@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C23H37NO5S/c1-2-3-16-30(27,28)18-21(23(25)26)17-20-7-9-22(10-8-20)29-15-5-4-6-19-11-13-24-14-12-19/h7-10,19,21,24H,2-6,11-18H2,1H3,(H,25,26)/t21-/m0/s1