(3S)-1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-mesyl-2-methyl-phenyl)nipecotate Formula: C14H18NO4S- MolecularWeight: 296.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO4S/c1-10-8-12(20(2,18)19)5-6-13(10)15-7-3-4-11(9-15)14(16)17/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1