2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]sulfonylamino]benzoic acid Formula: C21H18N2O8S2 MolecularWeight: 490.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H18N2O8S2/c24-21(25)17-6-1-2-7-18(17)23-33(28,29)15-5-3-4-14(12-15)22-32(26,27)16-8-9-19-20(13-16)31-11-10-30-19/h1-9,12-13,22-23H,10-11H2,(H,24,25)