3-[3-[1-(furan-2-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-[1-(furan-2-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[1-(2-furylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[1-(2-furanylsulfonylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[1-(furan-2-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[1-(2-furylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CO3

Isomeric SMILES

CC(C1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N2O5S/c1-15(23-29(26,27)21-5-3-9-28-21)19-12-16(6-7-20(24)25)10-18(13-19)11-17-4-2-8-22-14-17/h2-5,8-10,12-15,23H,6-7,11H2,1H3,(H,24,25)