2-(butylsulfonylamino)-3-[4-(1-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-(1-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[1-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[1-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-(1-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[1-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OC(CCC)C2CCNCC2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OC(CCC)C2CCNCC2)C(=O)O

InChI

InChI=1S/C22H36N2O5S/c1-3-5-15-30(27,28)24-20(22(25)26)16-17-7-9-19(10-8-17)29-21(6-4-2)18-11-13-23-14-12-18/h7-10,18,20-21,23-24H,3-6,11-16H2,1-2H3,(H,25,26)