2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)-1-benzofuran-2-yl]propanoic acid; piperidine

Systemtic Name: 2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)-1-benzofuran-2-yl]propanoic acid; piperidine Openeye Name: 2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)benzofuran-2-yl]propanoic acid; piperidine CAS Name: 2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)-2-benzofuranyl]propanoic acid; piperidine IUPAC Name: 2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)-1-benzofuran-2-yl]propanoic acid; piperidine Traditional Name: 2-(butylsulfonylamino)-3-[5-(methylcarbamoyl)benzofuran-2-yl]propionic acid; piperidine Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(O1)C=CC(=C2)C(=O)NC)C(=O)O.C1CCNCC1

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(O1)C=CC(=C2)C(=O)NC)C(=O)O.C1CCNCC1

InChI

InChI=1S/C17H22N2O6S.C5H11N/c1-3-4-7-26(23,24)19-14(17(21)22)10-13-9-12-8-11(16(20)18-2)5-6-15(12)25-13;1-2-4-6-5-3-1/h5-6,8-9,14,19H,3-4,7,10H2,1-2H3,(H,18,20)(H,21,22);6H,1-5H2