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

Systemtic Name: dimethyl 5-[(4-morpholin-4-yl-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-morpholino-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-morpholinyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-morpholin-4-yl-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-morpholino-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O9S/c1-30-19(24)13-9-14(20(25)31-2)11-15(10-13)21-33(28,29)16-3-4-17(18(12-16)23(26)27)22-5-7-32-8-6-22/h3-4,9-12,21H,5-8H2,1-2H3