dimethyl 2-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O9S MolecularWeight: 478.47238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C21H22N2O9S/c1-30-20(26)13-3-5-15(21(27)31-2)17(11-13)22-19(25)16-12-14(4-6-18(16)24)33(28,29)23-7-9-32-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3,(H,22,25)