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

Systemtic Name: 2-(butylsulfonylmethyl)-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: 2-(butylsulfonylmethyl)-3-[2-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: 2-(butylsulfonylmethyl)-3-[2-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylmethyl)-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: 2-(butylsulfonylmethyl)-3-[2-[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=CC=C1OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC(CC1=CC=CC=C1OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C23H37NO5S/c1-2-3-16-30(27,28)18-21(23(25)26)17-20-9-4-5-10-22(20)29-15-7-6-8-19-11-13-24-14-12-19/h4-5,9-10,19,21,24H,2-3,6-8,11-18H2,1H3,(H,25,26)