3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylpropanoic acid

Systemtic Name: 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylpropanoic acid Openeye Name: 3-[2-(4-pyridyl)pyrrolidin-1-yl]sulfonylpropanoic acid CAS Name: 3-[(2-pyridin-4-yl-1-pyrrolidinyl)sulfonyl]propanoic acid IUPAC Name: 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylpropanoic acid Traditional Name: 3-[2-(4-pyridyl)pyrrolidino]sulfonylpropionic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C12H16N2O4S/c15-12(16)5-9-19(17,18)14-8-1-2-11(14)10-3-6-13-7-4-10/h3-4,6-7,11H,1-2,5,8-9H2,(H,15,16)