(2,3,6-trimethylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-5-6-16(3)20(17(14)4)27-21(23)19-13-18(8-7-15(19)2)28(24,25)22-9-11-26-12-10-22/h5-8,13H,9-12H2,1-4H3