1-(2-cyanophenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(2-cyanophenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(2-cyanophenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(2-cyanophenyl)sulfonylnipecotic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c14-8-10-4-1-2-6-12(10)20(18,19)15-7-3-5-11(9-15)13(16)17/h1-2,4,6,11H,3,5,7,9H2,(H,16,17)