(3-acetamidophenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-acetamidophenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-acetamidophenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (3-acetamidophenyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-14-6-7-18(29(25,26)22-8-10-27-11-9-22)13-19(14)20(24)28-17-5-3-4-16(12-17)21-15(2)23/h3-7,12-13H,8-11H2,1-2H3,(H,21,23)