dimethyl 5-[(3-acetamido-4-morpholin-4-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-acetamido-4-morpholin-4-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-acetamido-4-morpholino-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-acetamido-4-(4-morpholinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-acetamido-4-morpholin-4-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-acetamido-4-morpholino-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C22H25N3O8S/c1-14(26)23-19-13-18(4-5-20(19)25-6-8-33-9-7-25)34(29,30)24-17-11-15(21(27)31-2)10-16(12-17)22(28)32-3/h4-5,10-13,24H,6-9H2,1-3H3,(H,23,26)