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

Systemtic Name: 3-phenylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: 3-phenylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid 3-phenylpropyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-17-15-23(16-18(2)28-17)29(25,26)21-12-10-20(11-13-21)22(24)27-14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,17-18H,6,9,14-16H2,1-2H3/t17-,18-/m1/s1