1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylic acid Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperidine-3-carboxylic acid CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylic acid Traditional Name: 1-coumaran-5-ylsulfonylnipecotic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC3)C(=O)O

InChI

InChI=1S/C14H17NO5S/c16-14(17)11-2-1-6-15(9-11)21(18,19)12-3-4-13-10(8-12)5-7-20-13/h3-4,8,11H,1-2,5-7,9H2,(H,16,17)