3-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[4-(2-ketopyrrolidino)phenoxy]sulfonylphenyl]propionic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H19NO6S/c21-18-2-1-13-20(18)15-6-8-16(9-7-15)26-27(24,25)17-10-3-14(4-11-17)5-12-19(22)23/h3-4,6-11H,1-2,5,12-13H2,(H,22,23)