methane; 1-(phenylcarbonyl)piperidine-4-sulfonate

Systemtic Name: methane; 1-(phenylcarbonyl)piperidine-4-sulfonate Openeye Name: 1-benzoylpiperidine-4-sulfonate; methane CAS Name: 1-benzoyl-4-piperidinesulfonate; methane IUPAC Name: 1-benzoylpiperidine-4-sulfonate; methane Traditional Name: 1-benzoylpiperidine-4-sulfonate; methane Formula: C13H18NO4S- MolecularWeight: 284.35132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.C1CN(CCC1S(=O)(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

C.C1CN(CCC1S(=O)(=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO4S.CH4/c14-12(10-4-2-1-3-5-10)13-8-6-11(7-9-13)18(15,16)17;/h1-5,11H,6-9H2,(H,15,16,17);1H4/p-1