(3S)-1-(2-methylsulfonylphenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-methylsulfonylphenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-methylsulfonylphenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-methylsulfonylphenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-methylsulfonylphenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-mesylphenyl)nipecotate Formula: C13H16NO4S- MolecularWeight: 282.33544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c1-19(17,18)12-7-3-2-6-11(12)14-8-4-5-10(9-14)13(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)/p-1/t10-/m0/s1