(2-chloranyl-5-methyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (2-chloro-5-methyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-13-7-8-18(21)19(9-13)27-20(23)16-5-4-6-17(10-16)28(24,25)22-11-14(2)26-15(3)12-22/h4-10,14-15H,11-12H2,1-3H3/t14-,15-/m0/s1