4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoate Formula: C14H18NO4S- MolecularWeight: 296.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10-7-11(2)9-15(8-10)20(18,19)13-5-3-12(4-6-13)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/p-1/t10-,11-/m0/s1