1-[(4-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate

Systemtic Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate Openeye Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[(4-cyanophenyl)methylsulfonyl]-4-piperidinecarboxylate IUPAC Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-(4-cyanobenzyl)sulfonylisonipecotate Formula: C14H15N2O4S- MolecularWeight: 307.3449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O4S/c15-9-11-1-3-12(4-2-11)10-21(19,20)16-7-5-13(6-8-16)14(17)18/h1-4,13H,5-8,10H2,(H,17,18)/p-1