3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]-4-methyl-benzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]-4-methylbenzoate IUPAC Name: 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylpiperidino]sulfonyl-4-methyl-benzoate Formula: C15H20NO4S- MolecularWeight: 310.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])C)C

InChI

InChI=1S/C15H21NO4S/c1-10-7-8-13(15(17)18)9-14(10)21(19,20)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3,(H,17,18)/p-1/t11-,12-/m0/s1