3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylbenzoic acid

Systemtic Name: 3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylbenzoic acid Openeye Name: 3-[2-oxo-2-(1-piperidyl)ethyl]sulfonylbenzoic acid CAS Name: 3-[2-oxo-2-(1-piperidinyl)ethyl]sulfonylbenzoic acid IUPAC Name: 3-(2-oxo-2-piperidin-1-ylethyl)sulfonylbenzoic acid Traditional Name: 3-(2-keto-2-piperidino-ethyl)sulfonylbenzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(15-7-2-1-3-8-15)10-21(19,20)12-6-4-5-11(9-12)14(17)18/h4-6,9H,1-3,7-8,10H2,(H,17,18)