3-pyridin-4-ylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: 3-pyridin-4-ylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: 3-(4-pyridyl)propyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid 3-(4-pyridyl)propyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CC=NC=C3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CC=NC=C3

InChI

InChI=1S/C21H26N2O5S/c1-16-14-23(15-17(2)28-16)29(25,26)20-7-5-19(6-8-20)21(24)27-13-3-4-18-9-11-22-12-10-18/h5-12,16-17H,3-4,13-15H2,1-2H3/t16-,17-/m1/s1