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

Systemtic Name: 4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbutanoic acid Openeye Name: 4-[2-(3-pyridyl)pyrrolidin-1-yl]sulfonylbutanoic acid CAS Name: 4-[[2-(3-pyridinyl)-1-pyrrolidinyl]sulfonyl]butanoic acid IUPAC Name: 4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbutanoic acid Traditional Name: 4-[2-(3-pyridyl)pyrrolidino]sulfonylbutyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCCC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C13H18N2O4S/c16-13(17)6-3-9-20(18,19)15-8-2-5-12(15)11-4-1-7-14-10-11/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,16,17)