3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: 3-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-methoxy-benzoate CAS Name: 3-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-4-methoxybenzoate IUPAC Name: 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[(3R,5S)-3,5-dimethylpiperidino]sulfonyl-4-methoxy-benzoate Formula: C15H20NO5S- MolecularWeight: 326.388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])OC)C

InChI

InChI=1S/C15H21NO5S/c1-10-6-11(2)9-16(8-10)22(19,20)14-7-12(15(17)18)4-5-13(14)21-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,18)/p-1/t10-,11+