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

Systemtic Name: (2,3,6-trimethylphenyl) 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO5S/c1-13-4-5-14(2)19(15(13)3)27-20(23)16-6-7-17(21)18(12-16)28(24,25)22-8-10-26-11-9-22/h4-7,12H,8-11H2,1-3H3