(4-methylsulfanylphenyl) (3S)-1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) (3S)-1-methylsulfonylpiperidine-3-carboxylate Openeye Name: (4-methylsulfanylphenyl) (3S)-1-methylsulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-methylsulfonyl-3-piperidinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) (3S)-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-mesylnipecotic acid [4-(methylthio)phenyl] ester Formula: C14H19NO4S2 MolecularWeight: 329.43496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C14H19NO4S2/c1-20-13-7-5-12(6-8-13)19-14(16)11-4-3-9-15(10-11)21(2,17)18/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1