(3-morpholin-4-ylsulfonylphenyl)methyl 2,4,6-trimethylbenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,4,6-trimethylbenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H25NO5S/c1-15-11-16(2)20(17(3)12-15)21(23)27-14-18-5-4-6-19(13-18)28(24,25)22-7-9-26-10-8-22/h4-6,11-13H,7-10,14H2,1-3H3