2-(butylsulfonylamino)-3-[2-(3-piperidin-4-ylpropyl)-1-benzofuran-6-yl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[2-(3-piperidin-4-ylpropyl)-1-benzofuran-6-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[2-[3-(4-piperidyl)propyl]benzofuran-6-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[2-[3-(4-piperidinyl)propyl]-6-benzofuranyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[2-(3-piperidin-4-ylpropyl)-1-benzofuran-6-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[2-[3-(4-piperidyl)propyl]benzofuran-6-yl]propionic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)C=C(O2)CCCC3CCNCC3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)C=C(O2)CCCC3CCNCC3)C(=O)O

InChI

InChI=1S/C23H34N2O5S/c1-2-3-13-31(28,29)25-21(23(26)27)14-18-7-8-19-16-20(30-22(19)15-18)6-4-5-17-9-11-24-12-10-17/h7-8,15-17,21,24-25H,2-6,9-14H2,1H3,(H,26,27)