dimethyl 5-[[3-azanyl-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-azanyl-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-amino-4-(3-pyridylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-amino-4-(3-pyridinylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-amino-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-amino-4-(3-pyridylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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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=CN=CC=C3)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)N)C(=O)OC

InChI

InChI=1S/C22H22N4O6S/c1-31-21(27)15-8-16(22(28)32-2)10-17(9-15)26-33(29,30)18-5-6-20(19(23)11-18)25-13-14-4-3-7-24-12-14/h3-12,25-26H,13,23H2,1-2H3