dimethyl 5-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O9S MolecularWeight: 489.45526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H19N3O9S/c1-31-20(25)13-8-14(21(26)32-2)10-15(9-13)23-34(29,30)17-5-6-18(19(11-17)24(27)28)22-12-16-4-3-7-33-16/h3-11,22-23H,12H2,1-2H3