(2,3,6-trimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-14-7-8-15(2)19(16(14)3)26-20(22)17-5-4-6-18(13-17)27(23,24)21-9-11-25-12-10-21/h4-8,13H,9-12H2,1-3H3