2-(butylsulfonylamino)-3-[5-(piperidin-4-ylmethylcarbamoyl)-1-benzofuran-2-yl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[5-(piperidin-4-ylmethylcarbamoyl)-1-benzofuran-2-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[5-(4-piperidylmethylcarbamoyl)benzofuran-2-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[5-[oxo-(4-piperidinylmethylamino)methyl]-2-benzofuranyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[5-(piperidin-4-ylmethylcarbamoyl)-1-benzofuran-2-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[5-(4-piperidylmethylcarbamoyl)benzofuran-2-yl]propionic acid Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(O1)C=CC(=C2)C(=O)NCC3CCNCC3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(O1)C=CC(=C2)C(=O)NCC3CCNCC3)C(=O)O

InChI

InChI=1S/C22H31N3O6S/c1-2-3-10-32(29,30)25-19(22(27)28)13-18-12-17-11-16(4-5-20(17)31-18)21(26)24-14-15-6-8-23-9-7-15/h4-5,11-12,15,19,23,25H,2-3,6-10,13-14H2,1H3,(H,24,26)(H,27,28)