1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperidine-4-carboxylic acid CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-4-carboxylic acid Traditional Name: 1-coumaran-5-ylsulfonylisonipecotic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C14H17NO5S/c16-14(17)10-3-6-15(7-4-10)21(18,19)12-1-2-13-11(9-12)5-8-20-13/h1-2,9-10H,3-8H2,(H,16,17)