(3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dimethylbenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dimethylbenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (3-morpholinosulfonylbenzyl) 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(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-15-6-7-18(12-16(15)2)20(22)26-14-17-4-3-5-19(13-17)27(23,24)21-8-10-25-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3