(2,3,6-trimethylphenyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=C(C=CC(=C3C)C)C)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=C(C=CC(=C3C)C)C)Cl

InChI

InChI=1S/C22H26ClNO5S/c1-13-6-7-14(2)21(17(13)5)29-22(25)18-8-9-19(23)20(10-18)30(26,27)24-11-15(3)28-16(4)12-24/h6-10,15-16H,11-12H2,1-5H3