3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid Traditional Name: 3,4,5-trimethoxy-2-[(3-sulfamoylphenyl)sulfonylamino]benzoic acid Formula: C16H18N2O9S2 MolecularWeight: 446.45212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)OC)OC

InChI

InChI=1S/C16H18N2O9S2/c1-25-12-8-11(16(19)20)13(15(27-3)14(12)26-2)18-29(23,24)10-6-4-5-9(7-10)28(17,21)22/h4-8,18H,1-3H3,(H,19,20)(H2,17,21,22)