1-[(2-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate

Systemtic Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate Openeye Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2-cyanophenyl)methylsulfonyl]-4-piperidinecarboxylate IUPAC Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-(2-cyanobenzyl)sulfonylisonipecotate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2C#N

InChI

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