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

Systemtic Name: pyridin-3-ylmethyl 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 3-pyridylmethyl 3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid 3-pyridylmethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN=CC=C3)C

InChI

InChI=1S/C20H24N2O4S/c1-15-9-16(2)13-22(12-15)27(24,25)19-7-3-6-18(10-19)20(23)26-14-17-5-4-8-21-11-17/h3-8,10-11,15-16H,9,12-14H2,1-2H3/t15-,16-/m0/s1