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

Systemtic Name: (4-chlorophenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-chlorophenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-chlorophenyl) ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-13-11-21(12-14(2)25-13)27(23,24)18-9-3-15(4-10-18)19(22)26-17-7-5-16(20)6-8-17/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1